1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride

C13H15ClN2O2 — CID 5337650

IUPAC1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(C)nc2=O)cc1.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11;/h4-8H,1-3H3;1H
InChIKeyDRPSVXJWFIHOBW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride

1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride (PubChem CID 5337650) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
PubChem CID5337650
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
SMILESCOc1ccc(-n2c(C)cc(C)nc2=O)cc1.Cl
InChIInChI=1S/C13H14N2O2.ClH/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11;/h4-8H,1-3H3;1H
InChIKeyDRPSVXJWFIHOBW-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride (CID 5337650) is 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride is COc1ccc(-n2c(C)cc(C)nc2=O)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
The InChIKey is DRPSVXJWFIHOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c1-9-8-10(2)15(13(16)14-9)11-4-6-12(17-3)7-5-11;/h4-8H,1-3H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride?
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 5337650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).