3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one

C19H17ClN2O2 — CID 30463268

IUPAC3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(Cc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-24-16-9-7-14(8-10-16)18-11-19(23)22(13-21-18)12-15-5-3-4-6-17(15)20/h3-11,13H,2,12H2,1H3
InChIKeyOMNKUUGMWCNLBG-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.01
Rot. Bonds5

About 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one

3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one (PubChem CID 30463268) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one
PubChem CID30463268
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one
SMILESCCOc1ccc(-c2cc(=O)n(Cc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-24-16-9-7-14(8-10-16)18-11-19(23)22(13-21-18)12-15-5-3-4-6-17(15)20/h3-11,13H,2,12H2,1H3
InChIKeyOMNKUUGMWCNLBG-UHFFFAOYSA-N
XLogP4.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one (CID 30463268) is 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one is CCOc1ccc(-c2cc(=O)n(Cc3ccccc3Cl)cn2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one?
The InChIKey is OMNKUUGMWCNLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-24-16-9-7-14(8-10-16)18-11-19(23)22(13-21-18)12-15-5-3-4-6-17(15)20/h3-11,13H,2,12H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one?
3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one has a molecular weight of 340.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-6-(4-ethoxyphenyl)pyrimidin-4-one is sourced from PubChem (CID 30463268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).