6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C19H24N4O — CID 112847677

IUPAC6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N(C)c2ccccc2)cc(N2CCCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-15-20-17(19(24)22(2)16-10-6-5-7-11-16)14-18(21-15)23-12-8-3-4-9-13-23/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKeySNVUHAFTSGOELQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.44
Rot. Bonds3

About 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112847677) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112847677
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N(C)c2ccccc2)cc(N2CCCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-15-20-17(19(24)22(2)16-10-6-5-7-11-16)14-18(21-15)23-12-8-3-4-9-13-23/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3
InChIKeySNVUHAFTSGOELQ-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
CID 109363505
6-(azepan-1-yl)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 112847027
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853044
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 112847677) is 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(C(=O)N(C)c2ccccc2)cc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is SNVUHAFTSGOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-20-17(19(24)22(2)16-10-6-5-7-11-16)14-18(21-15)23-12-8-3-4-9-13-23/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).