4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide

C12H11N3O2 — CID 135418963

IUPAC4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide
SMILESCc1cc(=O)[nH]c(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H11N3O2/c1-7-6-10(16)15-12(14-7)9-4-2-8(3-5-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyZSJZYCIVHZJAMZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.84
Rot. Bonds2

About 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide

4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide (PubChem CID 135418963) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide
PubChem CID135418963
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide
SMILESCc1cc(=O)[nH]c(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H11N3O2/c1-7-6-10(16)15-12(14-7)9-4-2-8(3-5-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyZSJZYCIVHZJAMZ-UHFFFAOYSA-N
XLogP0.84
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide?
The IUPAC name of 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide (CID 135418963) is 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide is Cc1cc(=O)[nH]c(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide?
The InChIKey is ZSJZYCIVHZJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-6-10(16)15-12(14-7)9-4-2-8(3-5-9)11(13)17/h2-6H,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide?
4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzamide is sourced from PubChem (CID 135418963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).