6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione

C20H19N3O3 — CID 823995

IUPAC6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c([C@@H]2NCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-12-6-2-5-9-15(12)23-19(25)16(18(24)22-20(23)26)17-14-8-4-3-7-13(14)10-11-21-17/h2-9,17,21,25H,10-11H2,1H3,(H,22,24,26)/t17-/m1/s1
InChIKeyPSOYABWZDJLBGG-QGZVFWFLSA-N
MW349.39 g/mol
LogP1.77
Rot. Bonds2

About 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione

6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione (PubChem CID 823995) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
PubChem CID823995
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(O)c([C@@H]2NCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-12-6-2-5-9-15(12)23-19(25)16(18(24)22-20(23)26)17-14-8-4-3-7-13(14)10-11-21-17/h2-9,17,21,25H,10-11H2,1H3,(H,22,24,26)/t17-/m1/s1
InChIKeyPSOYABWZDJLBGG-QGZVFWFLSA-N
XLogP1.77
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-benzyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione
CID 4308568
6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidin-4-one
CID 1395183
6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 940167
6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one
CID 3402133
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 5131004
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3326759
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 27506734
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(2-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3842151
5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 7068240
1-(2-chlorophenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]pyrimidine-2,4-dione
CID 1427764
1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 40916141
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3479756

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione (CID 823995) is 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione is Cc1ccccc1-n1c(O)c([C@@H]2NCCc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The InChIKey is PSOYABWZDJLBGG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-6-2-5-9-15(12)23-19(25)16(18(24)22-20(23)26)17-14-8-4-3-7-13(14)10-11-21-17/h2-9,17,21,25H,10-11H2,1H3,(H,22,24,26)/t17-/m1/s1.
What are the key properties of 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 823995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).