1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone

C11H10N4O — CID 62771888

IUPAC1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2ncccn2)nc1C
InChIInChI=1S/C11H10N4O/c1-7-9(8(2)16)6-14-11(15-7)10-12-4-3-5-13-10/h3-6H,1-2H3
InChIKeyDAJQKLUVCLMCPC-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone

1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone (PubChem CID 62771888) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone
PubChem CID62771888
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2ncccn2)nc1C
InChIInChI=1S/C11H10N4O/c1-7-9(8(2)16)6-14-11(15-7)10-12-4-3-5-13-10/h3-6H,1-2H3
InChIKeyDAJQKLUVCLMCPC-UHFFFAOYSA-N
XLogP1.44
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone (CID 62771888) is 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone is CC(=O)c1cnc(-c2ncccn2)nc1C.
What is the InChIKey of 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone?
The InChIKey is DAJQKLUVCLMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-9(8(2)16)6-14-11(15-7)10-12-4-3-5-13-10/h3-6H,1-2H3.
What are the key properties of 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone?
1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone has a molecular weight of 214.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyrimidin-2-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 62771888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).