6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione

C15H16N4O5 — CID 136804716

IUPAC6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc([C@H]2CC(c3c(O)n(C)c(=O)[nH]c3=O)=NN2)cc1O
InChIInChI=1S/C15H16N4O5/c1-19-14(22)12(13(21)16-15(19)23)9-6-8(17-18-9)7-3-4-11(24-2)10(20)5-7/h3-5,8,17,20,22H,6H2,1-2H3,(H,16,21,23)/t8-/m1/s1
InChIKeyRYMLFPVIRIZLCI-MRVPVSSYSA-N
MW332.32 g/mol
LogP-0.07
Rot. Bonds3

About 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione

6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione (PubChem CID 136804716) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione
PubChem CID136804716
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc([C@H]2CC(c3c(O)n(C)c(=O)[nH]c3=O)=NN2)cc1O
InChIInChI=1S/C15H16N4O5/c1-19-14(22)12(13(21)16-15(19)23)9-6-8(17-18-9)7-3-4-11(24-2)10(20)5-7/h3-5,8,17,20,22H,6H2,1-2H3,(H,16,21,23)/t8-/m1/s1
InChIKeyRYMLFPVIRIZLCI-MRVPVSSYSA-N
XLogP-0.07
TPSA128.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135970023
1-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135651746
1-benzyl-6-hydroxy-5-[(5S)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135766825
5-[(5S)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 136718239
6-hydroxy-5-[(5S)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 136887977
1-butyl-6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidenepyrimidin-4-one
CID 136887995
1-(4-chlorophenyl)-5-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 4912677
5-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 135970036
5-[(5S)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 136804615
6-hydroxy-1-methyl-5-[(5R)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 136804724
1-butyl-5-[(5R)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 135880712
1-(4-chlorophenyl)-6-hydroxy-5-[(5S)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135860302

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione (CID 136804716) is 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione is COc1ccc([C@H]2CC(c3c(O)n(C)c(=O)[nH]c3=O)=NN2)cc1O.
What is the InChIKey of 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione?
The InChIKey is RYMLFPVIRIZLCI-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-19-14(22)12(13(21)16-15(19)23)9-6-8(17-18-9)7-3-4-11(24-2)10(20)5-7/h3-5,8,17,20,22H,6H2,1-2H3,(H,16,21,23)/t8-/m1/s1.
What are the key properties of 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione?
6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione has a molecular weight of 332.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(5R)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 136804716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).