(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide

C8H8ClN3O — CID 171758660

IUPAC(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1C[C@@H]1c1cc(Cl)ncn1
InChIInChI=1S/C8H8ClN3O/c9-7-2-6(11-3-12-7)4-1-5(4)8(10)13/h2-5H,1H2,(H2,10,13)/t4-,5?/m0/s1
InChIKeyYRWQJYLNCAUMPV-ROLXFIACSA-N
MW197.62 g/mol
LogP0.72
Rot. Bonds2

About (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide

(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 171758660) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
PubChem CID171758660
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1C[C@@H]1c1cc(Cl)ncn1
InChIInChI=1S/C8H8ClN3O/c9-7-2-6(11-3-12-7)4-1-5(4)8(10)13/h2-5H,1H2,(H2,10,13)/t4-,5?/m0/s1
InChIKeyYRWQJYLNCAUMPV-ROLXFIACSA-N
XLogP0.72
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
CID 175507768
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
cis-ethyl (1S,2S)-2-(6-chloropyrimidin-4-yl)-1-ethylcyclopropane-1-carboxylate
CID 170693912
(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175617001
trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid
CID 135239855
2-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 155942818
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide (CID 171758660) is (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide is NC(=O)C1C[C@@H]1c1cc(Cl)ncn1.
What is the InChIKey of (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is YRWQJYLNCAUMPV-ROLXFIACSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-2-6(11-3-12-7)4-1-5(4)8(10)13/h2-5H,1H2,(H2,10,13)/t4-,5?/m0/s1.
What are the key properties of (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
(2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 197.62 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).