2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H14ClFN2O2 — CID 82802920

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2cccc(Cl)c2F)[nH]c1=O
InChIInChI=1S/C14H14ClFN2O2/c1-2-4-9-13(19)17-11(18-14(9)20)7-8-5-3-6-10(15)12(8)16/h3,5-6H,2,4,7H2,1H3,(H2,17,18,19,20)
InChIKeyGREDDSFOWWTATA-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.81
Rot. Bonds4

About 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 82802920) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID82802920
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2cccc(Cl)c2F)[nH]c1=O
InChIInChI=1S/C14H14ClFN2O2/c1-2-4-9-13(19)17-11(18-14(9)20)7-8-5-3-6-10(15)12(8)16/h3,5-6H,2,4,7H2,1H3,(H2,17,18,19,20)
InChIKeyGREDDSFOWWTATA-UHFFFAOYSA-N
XLogP2.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 82802920) is 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(Cc2cccc(Cl)c2F)[nH]c1=O.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is GREDDSFOWWTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-2-4-9-13(19)17-11(18-14(9)20)7-8-5-3-6-10(15)12(8)16/h3,5-6H,2,4,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 296.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82802920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).