1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione

C17H17N3O3 — CID 620473

IUPAC1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N3O3/c1-17(2,3)20-15(22)12(14(21)19-16(20)23)8-10-9-18-13-7-5-4-6-11(10)13/h4-9,22H,1-3H3,(H,19,21,23)
InChIKeyQGUVQNXZUHWARM-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.25
Rot. Bonds1

About 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione

1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 620473) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID620473
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N3O3/c1-17(2,3)20-15(22)12(14(21)19-16(20)23)8-10-9-18-13-7-5-4-6-11(10)13/h4-9,22H,1-3H3,(H,19,21,23)
InChIKeyQGUVQNXZUHWARM-UHFFFAOYSA-N
XLogP2.25
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 1402835
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 136649363
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135420650
1-(2-fluorophenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1134749
3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 135927408
1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 137162220
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 1322607

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (CID 620473) is 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is CC(C)(C)n1c(O)c(C=C2C=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is QGUVQNXZUHWARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(2,3)20-15(22)12(14(21)19-16(20)23)8-10-9-18-13-7-5-4-6-11(10)13/h4-9,22H,1-3H3,(H,19,21,23).
What are the key properties of 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 620473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).