6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide

C18H30N4O — CID 109373972

IUPAC6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-5-12-22(3)17-13-16(19-14(2)20-17)18(23)21-15-10-8-6-7-9-11-15/h13,15H,4-12H2,1-3H3,(H,21,23)
InChIKeyCXVKYOJMRQGKRP-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.47
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373972) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373972
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-5-12-22(3)17-13-16(19-14(2)20-17)18(23)21-15-10-8-6-7-9-11-15/h13,15H,4-12H2,1-3H3,(H,21,23)
InChIKeyCXVKYOJMRQGKRP-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide (CID 109373972) is 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NC2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is CXVKYOJMRQGKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-5-12-22(3)17-13-16(19-14(2)20-17)18(23)21-15-10-8-6-7-9-11-15/h13,15H,4-12H2,1-3H3,(H,21,23).
What are the key properties of 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).