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

C17H17N3O3 — CID 135451177

IUPAC1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(/C=C2\C=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)/b10-8+
InChIKeyQGUVQNXZUHWARM-CSKARUKUSA-N
MW311.34 g/mol
LogP2.25
Rot. Bonds1

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

1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135451177) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135451177
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(O)c(/C=C2\C=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)/b10-8+
InChIKeyQGUVQNXZUHWARM-CSKARUKUSA-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

Analyze 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135451177) is 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is CC(C)(C)n1c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is QGUVQNXZUHWARM-CSKARUKUSA-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)/b10-8+.
What are the key properties of 1-tert-butyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
1-tert-butyl-6-hydroxy-5-[(Z)-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-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135451177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).