N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C17H28N4O — CID 109322838

IUPACN-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCCC(C)C)n1
InChIInChI=1S/C17H28N4O/c1-12(2)9-10-18-17-19-13(3)11-15(21-17)16(22)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyHTNZYMHCTKMYMZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.31
Rot. Bonds6

About N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109322838) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109322838
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCCC(C)C)n1
InChIInChI=1S/C17H28N4O/c1-12(2)9-10-18-17-19-13(3)11-15(21-17)16(22)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyHTNZYMHCTKMYMZ-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109322838) is N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)nc(NCCC(C)C)n1.
What is the InChIKey of N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is HTNZYMHCTKMYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)9-10-18-17-19-13(3)11-15(21-17)16(22)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).