2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one

C15H18N2O3 — CID 136769346

IUPAC2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccc(OC)cc2C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-4-20-9-14-16-13(8-15(18)17-14)12-6-5-11(19-3)7-10(12)2/h5-8H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyCGLJCQNADMAPNB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds5

About 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136769346) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136769346
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccc(OC)cc2C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-4-20-9-14-16-13(8-15(18)17-14)12-6-5-11(19-3)7-10(12)2/h5-8H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyCGLJCQNADMAPNB-UHFFFAOYSA-N
XLogP2.29
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770437
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
4-(3,5-dichlorophenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770420
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136955655
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one (CID 136769346) is 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one is CCOCc1nc(-c2ccc(OC)cc2C)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is CGLJCQNADMAPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-9-14-16-13(8-15(18)17-14)12-6-5-11(19-3)7-10(12)2/h5-8H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).