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CAS 1185318-12-0 2-Amino-4-(n-propyl-d7)-pyrimidine molecular structure lightbox
CAS RN: 1185318-12-0

2-Amino-4-(n-propyl-d7)-pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINA889850
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1185318-12-0 / 4-(1,1,2,2,3,3,3-heptadeuteriopropyl)pyrimidin-2-amine

2-Amino-4-(n-propyl-d7)-pyrimidine | AKOS015944218 | CS-17833

Standard CAS: 1185318-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185318-12-0
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
144.230000
Exact Mass
144.139235
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=NC(=NC=C1)N
InChI
InChI=1S/C7H11N3/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,2-3H2,1H3,(H2,8,9,10)/i1D3,2D2,3D2
InChIKey
CZSMIYBZIJBZKR-NCKGIQLSSA-N
Synonyms
2-Amino-4-(n-propyl-d7)-pyrimidine AKOS015944218 CS-17833

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
40.44
TPSA
51.8

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.84

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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