5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione

C16H16N2O4 — CID 54248268

IUPAC5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H16N2O4/c1-10(19)13-14(20)17(9-11-7-8-11)16(22)18(15(13)21)12-5-3-2-4-6-12/h2-6,11,20H,7-9H2,1H3
InChIKeyXCKJWJNZBHAFKH-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.32
Rot. Bonds4

About 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione

5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione (PubChem CID 54248268) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione
PubChem CID54248268
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H16N2O4/c1-10(19)13-14(20)17(9-11-7-8-11)16(22)18(15(13)21)12-5-3-2-4-6-12/h2-6,11,20H,7-9H2,1H3
InChIKeyXCKJWJNZBHAFKH-UHFFFAOYSA-N
XLogP1.32
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione (CID 54248268) is 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione is CC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione?
The InChIKey is XCKJWJNZBHAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10(19)13-14(20)17(9-11-7-8-11)16(22)18(15(13)21)12-5-3-2-4-6-12/h2-6,11,20H,7-9H2,1H3.
What are the key properties of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione?
5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione has a molecular weight of 300.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 54248268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).