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

C15H14N4O5 — CID 127035592

IUPAC6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1cccc(O)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H14N4O5/c1-6-9(14(23)19-18-6)10(7-3-2-4-8(20)5-7)11-12(21)16-15(24)17-13(11)22/h2-5,10,20H,1H3,(H2,18,19,23)(H3,16,17,21,22,24)/t10-/m1/s1
InChIKeyBUAZQRRLOVBAOT-SNVBAGLBSA-N
MW330.30 g/mol
LogP-0.02
Rot. Bonds3

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

6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 127035592) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID127035592
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1cccc(O)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H14N4O5/c1-6-9(14(23)19-18-6)10(7-3-2-4-8(20)5-7)11-12(21)16-15(24)17-13(11)22/h2-5,10,20H,1H3,(H2,18,19,23)(H3,16,17,21,22,24)/t10-/m1/s1
InChIKeyBUAZQRRLOVBAOT-SNVBAGLBSA-N
XLogP-0.02
TPSA154.83 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)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-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 127035592) is 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is Cc1[nH][nH]c(=O)c1[C@@H](c1cccc(O)c1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BUAZQRRLOVBAOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-6-9(14(23)19-18-6)10(7-3-2-4-8(20)5-7)11-12(21)16-15(24)17-13(11)22/h2-5,10,20H,1H3,(H2,18,19,23)(H3,16,17,21,22,24)/t10-/m1/s1.
What are the key properties of 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 330.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(R)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127035592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).