N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

C17H28N4O — CID 109332725

IUPACN-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C17H28N4O/c1-12-11-14(15(22)21-17(2,3)4)20-16(18-12)19-13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyTUPMCGSFHAHHKG-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.45
Rot. Bonds3

About N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332725) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332725
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C17H28N4O/c1-12-11-14(15(22)21-17(2,3)4)20-16(18-12)19-13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyTUPMCGSFHAHHKG-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298654
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (CID 109332725) is N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc(NC2CCCCCC2)n1.
What is the InChIKey of N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is TUPMCGSFHAHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12-11-14(15(22)21-17(2,3)4)20-16(18-12)19-13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).