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

C12H10Cl2N2O — CID 136955503

IUPAC4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H10Cl2N2O/c1-6-11(15-7(2)16-12(6)17)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,16,17)
InChIKeyXQTYZQDGFVRBIU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.36
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136955503) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136955503
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H10Cl2N2O/c1-6-11(15-7(2)16-12(6)17)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,16,17)
InChIKeyXQTYZQDGFVRBIU-UHFFFAOYSA-N
XLogP3.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile
CID 70572741
2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 135480649
4-(3,4-dichlorophenyl)-6,7-dimethyl-2H-phthalazin-1-one
CID 168887142

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 136955503) is 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(Cl)c(Cl)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is XQTYZQDGFVRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-6-11(15-7(2)16-12(6)17)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 269.13 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).