1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone

C13H13N3O — CID 780881

IUPAC1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1N
InChIInChI=1S/C13H13N3O/c1-8-11(9(2)17)12(14)16-13(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16)
InChIKeySSCOMJFZOSOOKU-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.24
Rot. Bonds2

About 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone

1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone (PubChem CID 780881) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone
PubChem CID780881
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1N
InChIInChI=1S/C13H13N3O/c1-8-11(9(2)17)12(14)16-13(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16)
InChIKeySSCOMJFZOSOOKU-UHFFFAOYSA-N
XLogP2.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone (CID 780881) is 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone is CC(=O)c1c(C)nc(-c2ccccc2)nc1N.
What is the InChIKey of 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone?
The InChIKey is SSCOMJFZOSOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-11(9(2)17)12(14)16-13(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone?
1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone has a molecular weight of 227.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 780881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).