6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione

C13H13ClN2O4 — CID 167474346

IUPAC6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione
SMILESCOc1cc(OC)cc(-n2c(Cl)cc(=O)n(C)c2=O)c1
InChIInChI=1S/C13H13ClN2O4/c1-15-12(17)7-11(14)16(13(15)18)8-4-9(19-2)6-10(5-8)20-3/h4-7H,1-3H3
InChIKeyJIJLOEXCNWRJII-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.21
Rot. Bonds3

About 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione

6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 167474346) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione
PubChem CID167474346
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione
SMILESCOc1cc(OC)cc(-n2c(Cl)cc(=O)n(C)c2=O)c1
InChIInChI=1S/C13H13ClN2O4/c1-15-12(17)7-11(14)16(13(15)18)8-4-9(19-2)6-10(5-8)20-3/h4-7H,1-3H3
InChIKeyJIJLOEXCNWRJII-UHFFFAOYSA-N
XLogP1.21
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione (CID 167474346) is 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione is COc1cc(OC)cc(-n2c(Cl)cc(=O)n(C)c2=O)c1.
What is the InChIKey of 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is JIJLOEXCNWRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-15-12(17)7-11(14)16(13(15)18)8-4-9(19-2)6-10(5-8)20-3/h4-7H,1-3H3.
What are the key properties of 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione?
6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 296.71 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3,5-dimethoxyphenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 167474346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).