5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione

C12H14N4O3 — CID 71970539

IUPAC5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCn2cccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-9(17)10-8-15(12(19)14(2)11(10)18)6-7-16-5-3-4-13-16/h3-5,8H,6-7H2,1-2H3
InChIKeySVHGTIQPYQKUQB-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.35
Rot. Bonds4

About 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione

5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 71970539) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
PubChem CID71970539
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCn2cccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-9(17)10-8-15(12(19)14(2)11(10)18)6-7-16-5-3-4-13-16/h3-5,8H,6-7H2,1-2H3
InChIKeySVHGTIQPYQKUQB-UHFFFAOYSA-N
XLogP-0.35
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione (CID 71970539) is 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione is CC(=O)c1cn(CCn2cccn2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is SVHGTIQPYQKUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-9(17)10-8-15(12(19)14(2)11(10)18)6-7-16-5-3-4-13-16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 262.27 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).