6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide

C16H26N4O — CID 109362582

IUPAC6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-4-12(2)17-16(21)14-11-15(19-13(3)18-14)20-9-7-5-6-8-10-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyXLPGRJNUJBDWGH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds4

About 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide

6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide (PubChem CID 109362582) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
PubChem CID109362582
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-4-12(2)17-16(21)14-11-15(19-13(3)18-14)20-9-7-5-6-8-10-20/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyXLPGRJNUJBDWGH-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
N-butan-2-yl-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109362561
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619
2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
CID 109363505

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide (CID 109362582) is 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(N2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide?
The InChIKey is XLPGRJNUJBDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-12(2)17-16(21)14-11-15(19-13(3)18-14)20-9-7-5-6-8-10-20/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide?
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.69, 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)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).