(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone

C15H16N2O3 — CID 102950174

IUPAC(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(OC)cc2C)ncn1
InChIInChI=1S/C15H16N2O3/c1-9-6-13(19-3)10(2)5-11(9)15(18)12-7-14(20-4)17-8-16-12/h5-8H,1-4H3
InChIKeyISEOLIAJGSJOHK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds4

About (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone

(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102950174) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102950174
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(OC)cc2C)ncn1
InChIInChI=1S/C15H16N2O3/c1-9-6-13(19-3)10(2)5-11(9)15(18)12-7-14(20-4)17-8-16-12/h5-8H,1-4H3
InChIKeyISEOLIAJGSJOHK-UHFFFAOYSA-N
XLogP2.34
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxypyrimidine-4-carboxylic acid
CID 3300297
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102949992
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127258
(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
CID 164663087
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
4-methoxy-2,5-dimethylbenzoyl cyanide
CID 116918954

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone (CID 102950174) is (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)c2cc(C)c(OC)cc2C)ncn1.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is ISEOLIAJGSJOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-6-13(19-3)10(2)5-11(9)15(18)12-7-14(20-4)17-8-16-12/h5-8H,1-4H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102950174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).