6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H26N4O — CID 109368644

IUPAC6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2C)cc(N2CCCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-15-9-5-6-10-17(15)14-21-20(25)18-13-19(23-16(2)22-18)24-11-7-3-4-8-12-24/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,21,25)
InChIKeyHQULDWNHLWCPFC-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.40
Rot. Bonds4

About 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109368644) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109368644
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2C)cc(N2CCCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-15-9-5-6-10-17(15)14-21-20(25)18-13-19(23-16(2)22-18)24-11-7-3-4-8-12-24/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,21,25)
InChIKeyHQULDWNHLWCPFC-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368619
N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367173
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109368644) is 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccccc2C)cc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HQULDWNHLWCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-9-5-6-10-17(15)14-21-20(25)18-13-19(23-16(2)22-18)24-11-7-3-4-8-12-24/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,21,25).
What are the key properties of 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).