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

C16H17N3O3 — CID 940167

IUPAC6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c([C@H]2NCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O3/c1-2-9-19-15(21)12(14(20)18-16(19)22)13-11-6-4-3-5-10(11)7-8-17-13/h2-6,13,17,21H,1,7-9H2,(H,18,20,22)/t13-/m0/s1
InChIKeyGGQYIXWPAHDGCK-ZDUSSCGKSA-N
MW299.33 g/mol
LogP0.66
Rot. Bonds3

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

6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione (PubChem CID 940167) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
PubChem CID940167
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
SMILESC=CCn1c(O)c([C@H]2NCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O3/c1-2-9-19-15(21)12(14(20)18-16(19)22)13-11-6-4-3-5-10(11)7-8-17-13/h2-6,13,17,21H,1,7-9H2,(H,18,20,22)/t13-/m0/s1
InChIKeyGGQYIXWPAHDGCK-ZDUSSCGKSA-N
XLogP0.66
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-hydroxy-1-prop-2-enyl-5-[(1S)-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
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 27506734
6-hydroxy-1-(2-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 823995
6-hydroxy-1-prop-2-enyl-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one
CID 3842424
6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidin-4-one
CID 1395183
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)-6-hydroxy-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-4-one
CID 3536314
1-butyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione
CID 3741940
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3326759
5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-ethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 7068240
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 5131004
(5R)-5-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)-9-methoxy-3-prop-2-enyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 27450280

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione (CID 940167) is 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione is C=CCn1c(O)c([C@H]2NCCc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
The InChIKey is GGQYIXWPAHDGCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-9-19-15(21)12(14(20)18-16(19)22)13-11-6-4-3-5-10(11)7-8-17-13/h2-6,13,17,21H,1,7-9H2,(H,18,20,22)/t13-/m0/s1.
What are the key properties of 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione?
6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-prop-2-enyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 940167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).