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

C11H14ClN3O — CID 140760758

IUPAC1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(Cl)ncn2)CCCCC1
InChIInChI=1S/C11H14ClN3O/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11/h6-7H,1-5H2,(H2,13,16)
InChIKeyOUXOMSQKXKZQHW-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.82
Rot. Bonds2

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

1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 140760758) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide
PubChem CID140760758
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(Cl)ncn2)CCCCC1
InChIInChI=1S/C11H14ClN3O/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11/h6-7H,1-5H2,(H2,13,16)
InChIKeyOUXOMSQKXKZQHW-UHFFFAOYSA-N
XLogP1.82
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.82
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)cyclohexane-1-carboxamide?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide (CID 140760758) is 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide is NC(=O)C1(c2cc(Cl)ncn2)CCCCC1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is OUXOMSQKXKZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-9-6-8(14-7-15-9)11(10(13)16)4-2-1-3-5-11/h6-7H,1-5H2,(H2,13,16).
What are the key properties of 1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide?
1-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.82, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 140760758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).