4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one

C11H15N3O — CID 136977072

IUPAC4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC=CC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O/c1-2-9-13-10(7-11(15)14-9)12-8-5-3-4-6-8/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyYTPMNTOWOCSCEA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds3

About 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one

4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136977072) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136977072
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CC=CC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O/c1-2-9-13-10(7-11(15)14-9)12-8-5-3-4-6-8/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyYTPMNTOWOCSCEA-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974971
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
2-ethyl-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
CID 136975923
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136977072) is 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC2CC=CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YTPMNTOWOCSCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-13-10(7-11(15)14-9)12-8-5-3-4-6-8/h3-4,7-8H,2,5-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136977072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).