N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide

C12H16ClN3O — CID 116798469

IUPACN-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h6-9H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyMAIJEEINRGJSES-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.89
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide

N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 116798469) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID116798469
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h6-9H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyMAIJEEINRGJSES-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloropyrimidin-4-yl)cyclopentane-1-carboxamide
CID 116795102
N-(2-chloropyrimidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780141
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 116798426
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
CID 116795126
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide (CID 116798469) is N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccnc(Cl)n2)CC1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is MAIJEEINRGJSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h6-9H,2-5H2,1H3,(H,14,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide?
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 116798469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).