2-(6-methoxypyrimidin-4-yl)-1-phenylethanone

C13H12N2O2 — CID 555399

IUPAC2-(6-methoxypyrimidin-4-yl)-1-phenylethanone
SMILESCOc1cc(CC(=O)c2ccccc2)ncn1
InChIInChI=1S/C13H12N2O2/c1-17-13-8-11(14-9-15-13)7-12(16)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyDCUUBWPKJXEVKH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.91
Rot. Bonds4

About 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone

2-(6-methoxypyrimidin-4-yl)-1-phenylethanone (PubChem CID 555399) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-1-phenylethanone
PubChem CID555399
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(6-methoxypyrimidin-4-yl)-1-phenylethanone
SMILESCOc1cc(CC(=O)c2ccccc2)ncn1
InChIInChI=1S/C13H12N2O2/c1-17-13-8-11(14-9-15-13)7-12(16)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyDCUUBWPKJXEVKH-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone (CID 555399) is 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone is COc1cc(CC(=O)c2ccccc2)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone?
The InChIKey is DCUUBWPKJXEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13-8-11(14-9-15-13)7-12(16)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone?
2-(6-methoxypyrimidin-4-yl)-1-phenylethanone has a molecular weight of 228.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-1-phenylethanone is sourced from PubChem (CID 555399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).