(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone

C15H16N2O2 — CID 106680059

IUPAC(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1ccnc(C)n1
InChIInChI=1S/C15H16N2O2/c1-9-7-10(2)14(13(8-9)19-4)15(18)12-5-6-16-11(3)17-12/h5-8H,1-4H3
InChIKeyCVHUPJDSLOSNGA-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.64
Rot. Bonds3

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

(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone (PubChem CID 106680059) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
PubChem CID106680059
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1ccnc(C)n1
InChIInChI=1S/C15H16N2O2/c1-9-7-10(2)14(13(8-9)19-4)15(18)12-5-6-16-11(3)17-12/h5-8H,1-4H3
InChIKeyCVHUPJDSLOSNGA-UHFFFAOYSA-N
XLogP2.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680064
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(5-bromofuran-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681869
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681934
(2-methoxy-4,6-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917333

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone (CID 106680059) is (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone is COc1cc(C)cc(C)c1C(=O)c1ccnc(C)n1.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is CVHUPJDSLOSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-7-10(2)14(13(8-9)19-4)15(18)12-5-6-16-11(3)17-12/h5-8H,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone?
(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 256.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 106680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).