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

C19H23N3O3 — CID 661195

IUPAC1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21
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)
InChIKeyVVSHGWISIMWPFN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.98
Rot. Bonds2

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

1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione (PubChem CID 661195) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione
PubChem CID661195
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21
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)
InChIKeyVVSHGWISIMWPFN-UHFFFAOYSA-N
XLogP1.98
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione (CID 661195) is 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione?
The InChIKey is VVSHGWISIMWPFN-UHFFFAOYSA-N. 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).
What are the key properties of 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 661195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).