5-acetyl-6-methyl-1H-pyrimidine-2,4-dione

C7H8N2O3 — CID 7131306

IUPAC5-acetyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-3-5(4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKeyYVGRMDHVDOHDAF-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.43
Rot. Bonds1

About 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione

5-acetyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 7131306) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID7131306
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-acetyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-3-5(4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKeyYVGRMDHVDOHDAF-UHFFFAOYSA-N
XLogP-0.43
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Uracil, 5-ethyl-6-methyl-
CID 202538
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
Uracil, 5-(2-bromoethyl)-6-methyl-
CID 147314
6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 12512057
Butylmethyl pyrimidinedione
CID 15721967
6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
CID 317616
5-Propargyl-6-methyluracil
CID 154722238
5-Acetyl-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
CID 12623548
5,6-diethyl-1H-pyrimidine-2,4-dione
CID 22951071
5-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
CID 58821044

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione (CID 7131306) is 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione is CC(=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is YVGRMDHVDOHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-5(4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12).
What are the key properties of 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione?
5-acetyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7131306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).