6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione

C14H16N2O4 — CID 90681100

IUPAC6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC(O)COCc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H16N2O4/c17-12(6-11-7-13(18)16-14(19)15-11)9-20-8-10-4-2-1-3-5-10/h1-5,7,12,17H,6,8-9H2,(H2,15,16,18,19)
InChIKeyUMHNOHLQNVGKDL-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.18
Rot. Bonds6

About 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione

6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione (PubChem CID 90681100) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione
PubChem CID90681100
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC(O)COCc2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H16N2O4/c17-12(6-11-7-13(18)16-14(19)15-11)9-20-8-10-4-2-1-3-5-10/h1-5,7,12,17H,6,8-9H2,(H2,15,16,18,19)
InChIKeyUMHNOHLQNVGKDL-UHFFFAOYSA-N
XLogP0.18
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-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 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione (CID 90681100) is 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione is O=c1cc(CC(O)COCc2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UMHNOHLQNVGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12(6-11-7-13(18)16-14(19)15-11)9-20-8-10-4-2-1-3-5-10/h1-5,7,12,17H,6,8-9H2,(H2,15,16,18,19).
What are the key properties of 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione?
6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).