1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one

C15H16N2O2 — CID 116901561

IUPAC1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
SMILESCOc1ccc(C)cc1-c1ccnc(CC(C)=O)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-14(19-3)12(8-10)13-6-7-16-15(17-13)9-11(2)18/h4-8H,9H2,1-3H3
InChIKeyQGWOILLSEGWQOA-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one

1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one (PubChem CID 116901561) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
PubChem CID116901561
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
SMILESCOc1ccc(C)cc1-c1ccnc(CC(C)=O)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-14(19-3)12(8-10)13-6-7-16-15(17-13)9-11(2)18/h4-8H,9H2,1-3H3
InChIKeyQGWOILLSEGWQOA-UHFFFAOYSA-N
XLogP2.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
CID 116901184
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
CID 116902239
2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one?
The IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one (CID 116901561) is 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one is COc1ccc(C)cc1-c1ccnc(CC(C)=O)n1.
What is the InChIKey of 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one?
The InChIKey is QGWOILLSEGWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-5-14(19-3)12(8-10)13-6-7-16-15(17-13)9-11(2)18/h4-8H,9H2,1-3H3.
What are the key properties of 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one?
1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one is sourced from PubChem (CID 116901561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).