2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol

C16H24ClN3O2 — CID 166481650

IUPAC2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
SMILESCO.O=C(NC1CCCCC1)c1cc(C2CCC2)nc(Cl)n1
InChIInChI=1S/C15H20ClN3O.CH4O/c16-15-18-12(10-5-4-6-10)9-13(19-15)14(20)17-11-7-2-1-3-8-11;1-2/h9-11H,1-8H2,(H,17,20);2H,1H3
InChIKeyBDAMZJBRCZRINL-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol

2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol (PubChem CID 166481650) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol.

Molecular Properties

Compound Name2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
PubChem CID166481650
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
SMILESCO.O=C(NC1CCCCC1)c1cc(C2CCC2)nc(Cl)n1
InChIInChI=1S/C15H20ClN3O.CH4O/c16-15-18-12(10-5-4-6-10)9-13(19-15)14(20)17-11-7-2-1-3-8-11;1-2/h9-11H,1-8H2,(H,17,20);2H,1H3
InChIKeyBDAMZJBRCZRINL-UHFFFAOYSA-N
XLogP3.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol?
The IUPAC name of 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol (CID 166481650) is 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol.
What is the SMILES notation for 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol?
The canonical SMILES for 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol is CO.O=C(NC1CCCCC1)c1cc(C2CCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol?
The InChIKey is BDAMZJBRCZRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O.CH4O/c16-15-18-12(10-5-4-6-10)9-13(19-15)14(20)17-11-7-2-1-3-8-11;1-2/h9-11H,1-8H2,(H,17,20);2H,1H3.
What are the key properties of 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol?
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol has a molecular weight of 325.84 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol is sourced from PubChem (CID 166481650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).