2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C20H25FN4O — CID 109330747

IUPAC2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(N2CCCCCC2)n1
InChIInChI=1S/C20H25FN4O/c1-15-14-18(24-20(23-15)25-12-6-2-3-7-13-25)19(26)22-11-10-16-8-4-5-9-17(16)21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,26)
InChIKeyZPVZPLYVZITHOY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.28
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109330747) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109330747
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(N2CCCCCC2)n1
InChIInChI=1S/C20H25FN4O/c1-15-14-18(24-20(23-15)25-12-6-2-3-7-13-25)19(26)22-11-10-16-8-4-5-9-17(16)21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,26)
InChIKeyZPVZPLYVZITHOY-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
6-methyl-2-piperidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidine-4-carboxamide
CID 91947442
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321614
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109330747) is 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2F)nc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZPVZPLYVZITHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-15-14-18(24-20(23-15)25-12-6-2-3-7-13-25)19(26)22-11-10-16-8-4-5-9-17(16)21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,26).
What are the key properties of 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).