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

C12H17N3O — CID 136849718

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2=CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyNMPKMSFUXXISAE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.99
Rot. Bonds4

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

4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136849718) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136849718
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCC2=CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16)
InChIKeyNMPKMSFUXXISAE-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
CID 106177646
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 136849718) is 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCC2=CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NMPKMSFUXXISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-14-11(8-12(16)15-9)13-7-6-10-4-2-3-5-10/h4,8H,2-3,5-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.99, 4 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136849718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).