1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone

C14H14N2O2 — CID 116901442

IUPAC1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2ccnc(C(C)=O)n2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-8-11(4-5-13(9)18-3)12-6-7-15-14(16-12)10(2)17/h4-8H,1-3H3
InChIKeyDKJWKVYPCKBHGJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.66
Rot. Bonds3

About 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone

1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone (PubChem CID 116901442) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
PubChem CID116901442
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2ccnc(C(C)=O)n2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-8-11(4-5-13(9)18-3)12-6-7-15-14(16-12)10(2)17/h4-8H,1-3H3
InChIKeyDKJWKVYPCKBHGJ-UHFFFAOYSA-N
XLogP2.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]ethanone
CID 116901514
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901463
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
CID 116904079
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901466
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
CID 39401121
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone (CID 116901442) is 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone is COc1ccc(-c2ccnc(C(C)=O)n2)cc1C.
What is the InChIKey of 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone?
The InChIKey is DKJWKVYPCKBHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-8-11(4-5-13(9)18-3)12-6-7-15-14(16-12)10(2)17/h4-8H,1-3H3.
What are the key properties of 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone?
1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116901442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).