4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one

C13H22N4O — CID 136672018

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-16-12(7-13(18)17-11)15-10(8-14)9-5-3-4-6-9/h7,9-10H,2-6,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyNXPYDCWAPXWKNY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.26
Rot. Bonds5

About 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136672018) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136672018
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-16-12(7-13(18)17-11)15-10(8-14)9-5-3-4-6-9/h7,9-10H,2-6,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyNXPYDCWAPXWKNY-UHFFFAOYSA-N
XLogP1.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
3-[2-(Cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793489
3-(2-Amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one
CID 104747701
3-[2-Cyclopentyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747705
3-[2-Cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747708
3-[2-Cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 113448462
2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
2-cyclohexyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978419
2-cyclohexyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095273
2-cyclopentyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095276
2-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095415
2-cyclohexyl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095504

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136672018) is 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(CN)C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is NXPYDCWAPXWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-16-12(7-13(18)17-11)15-10(8-14)9-5-3-4-6-9/h7,9-10H,2-6,8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136672018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).