CAS RN: 1183440-83-6
1-(pyrimidin-2-yl)propan-1-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250421 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1183440-83-6
- Purity/Analytical Methods: >99.0%
1183440-83-6 / 1-pyrimidin-2-ylpropan-1-amine
1-(Pyrimidin-2-yl)propan-1-amine | RefChem:428622 | 840-189-4
Basic Information
CAS
1183440-83-6
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
SMILES
CCC(C1=NC=CC=N1)N
InChI
InChI=1S/C7H11N3/c1-2-6(8)7-9-4-3-5-10-7/h3-6H,2,8H2,1H3
InChIKey
JOHQIHUUHOFUKE-UHFFFAOYSA-N
Synonyms
1-(Pyrimidin-2-yl)propan-1-amine
RefChem:428622
840-189-4
2-Pyrimidinemethanamine, alpha-ethyl-
1-pyrimidin-2-ylpropan-1-amine
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.25
TPSA
51.8
LogP / Solubility
WLOGP
0.89
MLOGP
0.77
Consensus LogP
0.55
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
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