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CAS 3977-23-9 2-AMINO-5,6-DIMETHYL-4-HYDROXYPYRIMIDINE molecular structure lightbox
CAS RN: 3977-23-9

2-AMINO-5,6-DIMETHYL-4-HYDROXYPYRIMIDINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251123 1g In stock Inquiry
Batchno.20250817 25g In stock Inquiry
Batchno.20250108 5g In stock Inquiry
  • Product code: starshine_CAS3977-23-9
  • Purity/Analytical Methods: >99.0%
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3977-23-9 / 2-amino-4,5-dimethyl-1H-pyrimidin-6-one

Standard CAS: 3977-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3977-23-9
Multi CAS
Yes
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
InChIKey
APWRLAZEMYLHKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.74
TPSA
71.77

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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