4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one

C11H10Cl2N2O — CID 141143893

IUPAC4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC=N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(5-10(16)14-6-15-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyCIXKTQOZDKAETB-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.76
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one

4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one (PubChem CID 141143893) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
PubChem CID141143893
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC=N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(5-10(16)14-6-15-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyCIXKTQOZDKAETB-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64665755
6-(3,4-dichlorophenyl)-2-methyl-3-azabicyclo[4.1.0]heptan-4-one
CID 70947534
3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 71024670
4-(3,4-dichlorophenyl)-1-methyl-2-oxabicyclo[2.2.2]octan-3-one
CID 70873684
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CID 143403247
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 43155382
(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
CID 24757182
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 164674723
1-(3,4-dichlorophenyl)-4-hydroxy-4-methylcyclohexane-1-carbaldehyde
CID 134167029
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
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ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one (CID 141143893) is 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one is CC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC=N1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The InChIKey is CIXKTQOZDKAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(5-10(16)14-6-15-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15,16).
What are the key properties of 4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one has a molecular weight of 257.12 g/mol, XLogP of 2.76, 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)-4-methyl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 141143893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).