4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide

C12H18N4O — CID 70687942

IUPAC4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CCC2CCCC2)nc1N
InChIInChI=1S/C12H18N4O/c13-11-9(12(14)17)7-15-10(16-11)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,14,17)(H2,13,15,16)
InChIKeyMWUHKYDTVPNABM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds4

About 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide

4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide (PubChem CID 70687942) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
PubChem CID70687942
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CCC2CCCC2)nc1N
InChIInChI=1S/C12H18N4O/c13-11-9(12(14)17)7-15-10(16-11)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,14,17)(H2,13,15,16)
InChIKeyMWUHKYDTVPNABM-UHFFFAOYSA-N
XLogP1.28
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
CID 103151381
5-amino-2-(cyclopentylmethoxy)pyridine-3-carboxamide
CID 66322147
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 116647848
lithium 2-(2-cyclopropylethyl)pyrimidine-5-carboxylic acid
CID 159988088
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
CID 69162594
2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 157417195
4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide
CID 116647952
2-(2-cyclohexylethyl)-1,3,5-triazine
CID 90833787
4-[(2R,5R)-5-[6-amino-2-(2-cyclohexylethyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]butanamide
CID 57200815
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 70976837
2-amino-5-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxamide
CID 114194912

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide (CID 70687942) is 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide is NC(=O)c1cnc(CCC2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide?
The InChIKey is MWUHKYDTVPNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-9(12(14)17)7-15-10(16-11)6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,14,17)(H2,13,15,16).
What are the key properties of 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide?
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 70687942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).