6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione

C15H14N4O4 — CID 127036676

IUPAC6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H14N4O4/c1-7-9(14(22)19-18-7)10(8-5-3-2-4-6-8)11-12(20)16-15(23)17-13(11)21/h2-6,10H,1H3,(H2,18,19,22)(H3,16,17,20,21,23)/t10-/m1/s1
InChIKeySHVKNJOCZKXBAH-SNVBAGLBSA-N
MW314.30 g/mol
LogP0.27
Rot. Bonds3

About 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione (PubChem CID 127036676) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
PubChem CID127036676
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H14N4O4/c1-7-9(14(22)19-18-7)10(8-5-3-2-4-6-8)11-12(20)16-15(23)17-13(11)21/h2-6,10H,1H3,(H2,18,19,22)(H3,16,17,20,21,23)/t10-/m1/s1
InChIKeySHVKNJOCZKXBAH-SNVBAGLBSA-N
XLogP0.27
TPSA134.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-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-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione (CID 127036676) is 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione is Cc1[nH][nH]c(=O)c1[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SHVKNJOCZKXBAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-7-9(14(22)19-18-7)10(8-5-3-2-4-6-8)11-12(20)16-15(23)17-13(11)21/h2-6,10H,1H3,(H2,18,19,22)(H3,16,17,20,21,23)/t10-/m1/s1.
What are the key properties of 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 314.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127036676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).