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CAS 1017464-37-7 2,4-dichloro-N-cyclopropylpyrimidine-5-carboxamide molecular structure lightbox
CAS RN: 1017464-37-7

2,4-dichloro-N-cyclopropylpyrimidine-5-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1017464-37-7
  • Purity/Analytical Methods: >99.0%
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1017464-37-7 / 2,4-dichloro-N-cyclopropylpyrimidine-5-carboxamide

2,4-dichloro-N-cyclopropylpyrimidine-5-carboxamide | C8H7Cl2N3O | CID 24271833

Standard CAS: 1017464-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017464-37-7
Multi CAS
No
Molecular Formula
C8H7Cl2N3O
Molecular Weight
232.060000
Exact Mass
230.996617
SMILES
C1CC1NC(=O)C2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C8H7Cl2N3O/c9-6-5(3-11-8(10)13-6)7(14)12-4-1-2-4/h3-4H,1-2H2,(H,12,14)
InChIKey
BZNILMIHODUAGE-UHFFFAOYSA-N
Synonyms
2,4-dichloro-N-cyclopropylpyrimidine-5-carboxamide C8H7Cl2N3O CID 24271833 AKOS022201565 SB60687

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.54
TPSA
54.88

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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