4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C15H18N2O3 — CID 136770565

IUPAC4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(C)c(C)c2OC)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-11(15(20-4)10(9)2)12-7-14(18)17-13(16-12)8-19-3/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyPAYOCBQSVBOZOJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds4

About 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136770565) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136770565
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2ccc(C)c(C)c2OC)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-5-6-11(15(20-4)10(9)2)12-7-14(18)17-13(16-12)8-19-3/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyPAYOCBQSVBOZOJ-UHFFFAOYSA-N
XLogP2.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136770565) is 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(-c2ccc(C)c(C)c2OC)cc(=O)[nH]1.
What is the InChIKey of 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is PAYOCBQSVBOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-11(15(20-4)10(9)2)12-7-14(18)17-13(16-12)8-19-3/h5-7H,8H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).