1-(6-methylpyrimidin-4-yl)propan-2-one

C8H10N2O — CID 63198809

IUPAC1-(6-methylpyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1cc(C)ncn1
InChIInChI=1S/C8H10N2O/c1-6-3-8(4-7(2)11)10-5-9-6/h3,5H,4H2,1-2H3
InChIKeyQDVGRRRDQGYQIS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.92
Rot. Bonds2

About 1-(6-methylpyrimidin-4-yl)propan-2-one

1-(6-methylpyrimidin-4-yl)propan-2-one (PubChem CID 63198809) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(6-methylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methylpyrimidin-4-yl)propan-2-one
PubChem CID63198809
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(6-methylpyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1cc(C)ncn1
InChIInChI=1S/C8H10N2O/c1-6-3-8(4-7(2)11)10-5-9-6/h3,5H,4H2,1-2H3
InChIKeyQDVGRRRDQGYQIS-UHFFFAOYSA-N
XLogP0.92
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-methylpyrimidin-4-yl)propan-2-one (CID 63198809) is 1-(6-methylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-methylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-methylpyrimidin-4-yl)propan-2-one is CC(=O)Cc1cc(C)ncn1.
What is the InChIKey of 1-(6-methylpyrimidin-4-yl)propan-2-one?
The InChIKey is QDVGRRRDQGYQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-3-8(4-7(2)11)10-5-9-6/h3,5H,4H2,1-2H3.
What are the key properties of 1-(6-methylpyrimidin-4-yl)propan-2-one?
1-(6-methylpyrimidin-4-yl)propan-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 63198809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).