5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one

C12H13ClN2O2 — CID 23315754

IUPAC5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one
SMILESCOc1ccc(C2NC(=O)C(Cl)=CN2C)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-7-10(13)12(16)14-11(15)8-3-5-9(17-2)6-4-8/h3-7,11H,1-2H3,(H,14,16)
InChIKeyVTVSZWIKUBSAKV-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.84
Rot. Bonds2

About 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one

5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 23315754) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one
PubChem CID23315754
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one
SMILESCOc1ccc(C2NC(=O)C(Cl)=CN2C)cc1
InChIInChI=1S/C12H13ClN2O2/c1-15-7-10(13)12(16)14-11(15)8-3-5-9(17-2)6-4-8/h3-7,11H,1-2H3,(H,14,16)
InChIKeyVTVSZWIKUBSAKV-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(2S,10S)-10-amino-8-chloro-2-(4-methoxyphenyl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one
CID 58585649
(2R,10S)-10-amino-8-chloro-2-(4-methoxyphenyl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one
CID 58585578
5-ethyl-2-(4-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261732
(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850
(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
CID 906702
2-(4-methoxyphenyl)-3-methyl-5-phenylimidazolidin-4-one
CID 14584879
6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
CID 24829281
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 11017075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one (CID 23315754) is 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one is COc1ccc(C2NC(=O)C(Cl)=CN2C)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is VTVSZWIKUBSAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-7-10(13)12(16)14-11(15)8-3-5-9(17-2)6-4-8/h3-7,11H,1-2H3,(H,14,16).
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one?
5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 252.70 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 23315754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).