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CAS 1122-46-9 6-Amino-3-methylpyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 1122-46-9

6-Amino-3-methylpyrimidin-4(3H)-one

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250629 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260225 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250502 1g Out of stock Inquiry
Batchno.20250830 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260130 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS1122-46-9
  • Purity/Analytical Methods: >99.0%
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1122-46-9 / 6-amino-3-methylpyrimidin-4-one

6-amino-3-methyl-3,4-dihydropyrimidin-4-one | RefChem:540219 | 852-274-3

Standard CAS: 1122-46-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-46-9
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
SMILES
CN1C=NC(=CC1=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-7-4(6)2-5(8)9/h2-3H,6H2,1H3
InChIKey
KSRSEUOJMZPSFL-UHFFFAOYSA-N
Synonyms
6-amino-3-methyl-3,4-dihydropyrimidin-4-one RefChem:540219 852-274-3 6-Amino-3-methylpyrimidin-4(3H)-one 6-amino-3-methylpyrimidin-4-one

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.89
TPSA
60.91

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
-1
Consensus LogP
-0.74
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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