1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione

C19H24N3O3+ — CID 7447427

IUPAC1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1[C@H]1[NH2+]CCc2ccccc21
InChIInChI=1S/C19H23N3O3/c23-17-15(16-14-9-5-4-6-12(14)10-11-20-16)18(24)22(19(25)21-17)13-7-2-1-3-8-13/h4-6,9,13,16,20,24H,1-3,7-8,10-11H2,(H,21,23,25)/p+1/t16-/m0/s1
InChIKeyVVSHGWISIMWPFN-INIZCTEOSA-O
MW342.42 g/mol
LogP0.96
Rot. Bonds2

About 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione (PubChem CID 7447427) has the molecular formula C19H24N3O3+ and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione
PubChem CID7447427
Molecular FormulaC19H24N3O3+
Molecular Weight342.42 g/mol
Exact Mass342.18
IUPAC Name1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1[C@H]1[NH2+]CCc2ccccc21
InChIInChI=1S/C19H23N3O3/c23-17-15(16-14-9-5-4-6-12(14)10-11-20-16)18(24)22(19(25)21-17)13-7-2-1-3-8-13/h4-6,9,13,16,20,24H,1-3,7-8,10-11H2,(H,21,23,25)/p+1/t16-/m0/s1
InChIKeyVVSHGWISIMWPFN-INIZCTEOSA-O
XLogP0.96
TPSA91.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]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

Related Compounds

1-ethyl-6-hydroxy-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one
CID 7441666
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 7068271
6-hydroxy-1-phenyl-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione
CID 7068328
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598423
1-cyclohexyl-5-[(5R)-5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804499
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
1-cycloheptyl-6-hydroxy-5-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 135715871
6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 823995
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
CID 4254295
1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]pyrimidin-4-one
CID 1427650

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione (CID 7447427) is 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1[C@H]1[NH2+]CCc2ccccc21.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione?
The InChIKey is VVSHGWISIMWPFN-INIZCTEOSA-O. The full InChI is InChI=1S/C19H23N3O3/c23-17-15(16-14-9-5-4-6-12(14)10-11-20-16)18(24)22(19(25)21-17)13-7-2-1-3-8-13/h4-6,9,13,16,20,24H,1-3,7-8,10-11H2,(H,21,23,25)/p+1/t16-/m0/s1.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 7447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).