N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C14H22N4O — CID 109319258

IUPACN-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)15-14-16-10(3)8-12(18-14)13(19)17-11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyLHCOLHBVVGYTHH-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.28
Rot. Bonds4

About N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109319258) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109319258
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)15-14-16-10(3)8-12(18-14)13(19)17-11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyLHCOLHBVVGYTHH-UHFFFAOYSA-N
XLogP2.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.28
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-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109322195
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 109331364
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109319258) is N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCC2)nc(NC(C)C)n1.
What is the InChIKey of N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is LHCOLHBVVGYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)15-14-16-10(3)8-12(18-14)13(19)17-11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).