6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione

C15H16N2O4 — CID 115947976

IUPAC6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCOC2)c(O)c1-c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-13-12(11-4-2-1-3-5-11)14(19)17(15(20)16-13)8-10-6-7-21-9-10/h1-5,10,19H,6-9H2,(H,16,18,20)
InChIKeyQCJGPLPGCCFWEK-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.95
Rot. Bonds3

About 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione

6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione (PubChem CID 115947976) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
PubChem CID115947976
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCOC2)c(O)c1-c1ccccc1
InChIInChI=1S/C15H16N2O4/c18-13-12(11-4-2-1-3-5-11)14(19)17(15(20)16-13)8-10-6-7-21-9-10/h1-5,10,19H,6-9H2,(H,16,18,20)
InChIKeyQCJGPLPGCCFWEK-UHFFFAOYSA-N
XLogP0.95
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 115946019
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
4-(oxolan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 75368885
4-[[(3S)-oxolan-3-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 97210991
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 115947290
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986007

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione (CID 115947976) is 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CCOC2)c(O)c1-c1ccccc1.
What is the InChIKey of 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is QCJGPLPGCCFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-12(11-4-2-1-3-5-11)14(19)17(15(20)16-13)8-10-6-7-21-9-10/h1-5,10,19H,6-9H2,(H,16,18,20).
What are the key properties of 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione?
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115947976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).