4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H21N3O — CID 136849713

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2=CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h5,9-10H,3-4,6-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyJBNYIBBDJLRPLI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds5

About 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136849713) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136849713
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2=CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h5,9-10H,3-4,6-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyJBNYIBBDJLRPLI-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
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-(cyclopenten-1-ylmethyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 136070865
2-(cyclopenten-1-ylmethyl)-4-piperidin-3-yl-1H-pyrimidin-6-one
CID 136145944
4-cyclopentyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 136313301
2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136327635
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136327636
2-cyclopropyl-4-(2-pyrrolidin-2-ylethyl)-1H-pyrimidin-6-one
CID 136327670
2-propan-2-yl-4-(2-pyrrolidin-2-ylethyl)-1H-pyrimidin-6-one
CID 136327680
2-propan-2-yl-4-(2-pyrrolidin-3-ylethyl)-1H-pyrimidin-6-one
CID 136327681
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136327684
4-propyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136392533
2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737815
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136849713) is 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2=CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JBNYIBBDJLRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h5,9-10H,3-4,6-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 247.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).