N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide

C15H24N4O — CID 109320611

IUPACN-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-3-4-9-16-14(20)13-10-11(2)17-15(19-13)18-12-7-5-6-8-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyONTIYJMNTMOLQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.67
Rot. Bonds6

About N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide

N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320611) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109320611
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-3-4-9-16-14(20)13-10-11(2)17-15(19-13)18-12-7-5-6-8-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyONTIYJMNTMOLQA-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
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-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (CID 109320611) is N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(C)nc(NC2CCCC2)n1.
What is the InChIKey of N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ONTIYJMNTMOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-9-16-14(20)13-10-11(2)17-15(19-13)18-12-7-5-6-8-12/h10,12H,3-9H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).