1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione

C15H16N2O3 — CID 115947359

IUPAC1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESCC1(C)CC1n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-15(2)8-10(15)17-13(19)11(12(18)16-14(17)20)9-6-4-3-5-7-9/h3-7,10,19H,8H2,1-2H3,(H,16,18,20)
InChIKeyKPZTXFXIUULSHQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.88
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione

1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione (PubChem CID 115947359) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
PubChem CID115947359
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
SMILESCC1(C)CC1n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-15(2)8-10(15)17-13(19)11(12(18)16-14(17)20)9-6-4-3-5-7-9/h3-7,10,19H,8H2,1-2H3,(H,16,18,20)
InChIKeyKPZTXFXIUULSHQ-UHFFFAOYSA-N
XLogP1.88
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione (CID 115947359) is 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione is CC1(C)CC1n1c(O)c(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
The InChIKey is KPZTXFXIUULSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2)8-10(15)17-13(19)11(12(18)16-14(17)20)9-6-4-3-5-7-9/h3-7,10,19H,8H2,1-2H3,(H,16,18,20).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione?
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115947359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).