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

C16H16N4O5 — CID 127037641

IUPAC6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O5/c1-7-10(15(23)20-19-7)11(8-5-3-4-6-9(8)25-2)12-13(21)17-16(24)18-14(12)22/h3-6,11H,1-2H3,(H2,19,20,23)(H3,17,18,21,22,24)/t11-/m1/s1
InChIKeyNPSGAQILTCCAEE-LLVKDONJSA-N
MW344.33 g/mol
LogP0.28
Rot. Bonds4

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

6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 127037641) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID127037641
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O5/c1-7-10(15(23)20-19-7)11(8-5-3-4-6-9(8)25-2)12-13(21)17-16(24)18-14(12)22/h3-6,11H,1-2H3,(H2,19,20,23)(H3,17,18,21,22,24)/t11-/m1/s1
InChIKeyNPSGAQILTCCAEE-LLVKDONJSA-N
XLogP0.28
TPSA143.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550524
4,4'-[(2,5-dimethoxyphenyl)methylene]bis(3-methyl-1H-pyrazol-5-ol)
CID 2936192
5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 3162456
4-[(2-Hydroxy-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3154671
4,4'-[(2-methoxyphenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)
CID 2921843
1-isopropyl-4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53369521
1-cyclopentyl-4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53371263
5-((4-Methoxyphenyl)(5-methyl-3-oxo-2,3-dihydro-1h-pyrazol-4-yl)methyl)pyrimidine-2,4,6(1h,3h,5h)-trione
CID 129857090
6-hydroxy-5-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 127035590
3,3'-((2-methoxyphenyl)methylene)bis(4-hydroxy-6-methylpyridin-2(1H)-one)
CID 54686407
(4R)-1-cyclooctyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389280
4,4'-{[2-(allyloxy)phenyl]methylene}bis(3-methyl-1H-pyrazol-5-ol)
CID 2929966

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 127037641) is 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(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)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is COc1ccccc1[C@H](c1c(C)[nH][nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NPSGAQILTCCAEE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-7-10(15(23)20-19-7)11(8-5-3-4-6-9(8)25-2)12-13(21)17-16(24)18-14(12)22/h3-6,11H,1-2H3,(H2,19,20,23)(H3,17,18,21,22,24)/t11-/m1/s1.
What are the key properties of 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 344.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(R)-(2-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127037641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).