1-benzoyl-5-methylpyrimidine-2,4-dione

C12H10N2O3 — CID 667610

IUPAC1-benzoyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,15,17)
InChIKeyQIUQZAQSDRSKSZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.53
Rot. Bonds1

About 1-benzoyl-5-methylpyrimidine-2,4-dione

1-benzoyl-5-methylpyrimidine-2,4-dione (PubChem CID 667610) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-benzoyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzoyl-5-methylpyrimidine-2,4-dione
PubChem CID667610
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-benzoyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,15,17)
InChIKeyQIUQZAQSDRSKSZ-UHFFFAOYSA-N
XLogP0.53
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
Benzoylurea
CID 69190
N-Butylbenzamide
CID 76024
5-Benzyluracil
CID 236212
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
CID 11381650
7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide
CID 11426781
Benzamide, N-(((6-(hydroxyamino)-6-oxohexyl)amino)carbonyl)-
CID 11449246
N-(benzamidomethyl)benzamide
CID 347743
N-benzoyl-1-piperidinecarboxamide
CID 974065
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzoyl-5-methylpyrimidine-2,4-dione (CID 667610) is 1-benzoyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzoyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzoyl-5-methylpyrimidine-2,4-dione is Cc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzoyl-5-methylpyrimidine-2,4-dione?
The InChIKey is QIUQZAQSDRSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,15,17).
What are the key properties of 1-benzoyl-5-methylpyrimidine-2,4-dione?
1-benzoyl-5-methylpyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 667610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).