4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one

C13H12Cl2N2O2 — CID 136770420

IUPAC4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C13H12Cl2N2O2/c1-2-19-7-12-16-11(6-13(18)17-12)8-3-9(14)5-10(15)4-8/h3-6H,2,7H2,1H3,(H,16,17,18)
InChIKeyYSDSUUXMSHNSPJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.28
Rot. Bonds4

About 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one

4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136770420) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136770420
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2cc(Cl)cc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C13H12Cl2N2O2/c1-2-19-7-12-16-11(6-13(18)17-12)8-3-9(14)5-10(15)4-8/h3-6H,2,7H2,1H3,(H,16,17,18)
InChIKeyYSDSUUXMSHNSPJ-UHFFFAOYSA-N
XLogP3.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770437
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438089
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
2-(chloromethyl)-4-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 137119595
2-(methoxymethyl)-4-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692234

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one (CID 136770420) is 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one is CCOCc1nc(-c2cc(Cl)cc(Cl)c2)cc(=O)[nH]1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YSDSUUXMSHNSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-2-19-7-12-16-11(6-13(18)17-12)8-3-9(14)5-10(15)4-8/h3-6H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 299.16 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).