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

C8H8ClN3O — CID 171758525

IUPAC1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C8H8ClN3O/c9-6-3-5(11-4-12-6)8(1-2-8)7(10)13/h3-4H,1-2H2,(H2,10,13)
InChIKeyFYIXPWJQIHPKHC-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.65
Rot. Bonds2

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

1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 171758525) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
PubChem CID171758525
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C8H8ClN3O/c9-6-3-5(11-4-12-6)8(1-2-8)7(10)13/h3-4H,1-2H2,(H2,10,13)
InChIKeyFYIXPWJQIHPKHC-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide (CID 171758525) is 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide is NC(=O)C1(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FYIXPWJQIHPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-6-3-5(11-4-12-6)8(1-2-8)7(10)13/h3-4H,1-2H2,(H2,10,13).
What are the key properties of 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide?
1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 197.62 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).