2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one

C14H17N3O — CID 135753960

IUPAC2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCCc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O/c1-2-3-4-5-13-16-12(10-14(18)17-13)11-6-8-15-9-7-11/h6-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyFUBQBVSQHCQOBI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.56
Rot. Bonds5

About 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one

2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135753960) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135753960
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCCc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O/c1-2-3-4-5-13-16-12(10-14(18)17-13)11-6-8-15-9-7-11/h6-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyFUBQBVSQHCQOBI-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-pentyl-4-pyridin-4-yl-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

4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
CID 136692372
4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 135546497
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
2-(N-butoxyanilino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753915
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136770272
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860
2-butyl-1H-pyrimidin-6-one
CID 10511035
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135753960) is 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one is CCCCCc1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FUBQBVSQHCQOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-4-5-13-16-12(10-14(18)17-13)11-6-8-15-9-7-11/h6-10H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135753960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).