5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione

C12H16N2O3 — CID 80642781

IUPAC5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CC2CC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-7(5-9-3-4-9)14-11(16)10(8(2)15)6-13-12(14)17/h6-7,9H,3-5H2,1-2H3,(H,13,17)
InChIKeyQGSHTGYTXIIDNS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.10
Rot. Bonds4

About 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 80642781) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID80642781
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CC2CC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-7(5-9-3-4-9)14-11(16)10(8(2)15)6-13-12(14)17/h6-7,9H,3-5H2,1-2H3,(H,13,17)
InChIKeyQGSHTGYTXIIDNS-UHFFFAOYSA-N
XLogP1.10
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione (CID 80642781) is 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)CC2CC2)c1=O.
What is the InChIKey of 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QGSHTGYTXIIDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(5-9-3-4-9)14-11(16)10(8(2)15)6-13-12(14)17/h6-7,9H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1-cyclopropylpropan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).