2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H30N4O — CID 109332847

IUPAC2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)10-11-19-17(23)16-12-14(3)20-18(22-16)21-15-8-6-4-5-7-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyKLMOEFPJCXMPEH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.70
Rot. Bonds6

About 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109332847) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109332847
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C18H30N4O/c1-13(2)10-11-19-17(23)16-12-14(3)20-18(22-16)21-15-8-6-4-5-7-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyKLMOEFPJCXMPEH-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
ethyl 4-[[4-methyl-6-(3-methylbutylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331939
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109332847) is 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(NC2CCCCCC2)n1.
What is the InChIKey of 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is KLMOEFPJCXMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13(2)10-11-19-17(23)16-12-14(3)20-18(22-16)21-15-8-6-4-5-7-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).