6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

C15H18N2O4 — CID 90681101

IUPAC6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(O)COCc2ccccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-10-13(16-15(20)17-14(10)19)7-12(18)9-21-8-11-5-3-2-4-6-11/h2-6,12,18H,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyIMJFZNJYKOVDJJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.49
Rot. Bonds6

About 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 90681101) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID90681101
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(O)COCc2ccccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-10-13(16-15(20)17-14(10)19)7-12(18)9-21-8-11-5-3-2-4-6-11/h2-6,12,18H,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyIMJFZNJYKOVDJJ-UHFFFAOYSA-N
XLogP0.49
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-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)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 90681101) is 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CC(O)COCc2ccccc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is IMJFZNJYKOVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-13(16-15(20)17-14(10)19)7-12(18)9-21-8-11-5-3-2-4-6-11/h2-6,12,18H,7-9H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.49, 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)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90681101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).