N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide

C15H24N4O — CID 109321370

IUPACN-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-4-10(2)16-14(20)13-9-11(3)17-15(19-13)18-12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyCPDQODNZVCTLTB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds5

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

N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321370) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321370
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-4-10(2)16-14(20)13-9-11(3)17-15(19-13)18-12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyCPDQODNZVCTLTB-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (CID 109321370) is N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(NC2CCCC2)n1.
What is the InChIKey of N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CPDQODNZVCTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-10(2)16-14(20)13-9-11(3)17-15(19-13)18-12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).