pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol

C16H13N5O — CID 158787086

IUPACpyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cncnc3)cc2c1.c1cncnc1
InChIInChI=1S/C12H9N3O.C4H4N2/c16-10-1-2-11-8(3-10)4-12(15-11)9-5-13-7-14-6-9;1-2-5-4-6-3-1/h1-7,15-16H;1-4H
InChIKeyIRUYIRXXPXUYHZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.81
Rot. Bonds1

About pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol

pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol (PubChem CID 158787086) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol.

Molecular Properties

Compound Namepyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol
PubChem CID158787086
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Namepyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cncnc3)cc2c1.c1cncnc1
InChIInChI=1S/C12H9N3O.C4H4N2/c16-10-1-2-11-8(3-10)4-12(15-11)9-5-13-7-14-6-9;1-2-5-4-6-3-1/h1-7,15-16H;1-4H
InChIKeyIRUYIRXXPXUYHZ-UHFFFAOYSA-N
XLogP2.81
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol 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 pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol?
The IUPAC name of pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol (CID 158787086) is pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol.
What is the SMILES notation for pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol?
The canonical SMILES for pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol is Oc1ccc2[nH]c(-c3cncnc3)cc2c1.c1cncnc1.
What is the InChIKey of pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol?
The InChIKey is IRUYIRXXPXUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.C4H4N2/c16-10-1-2-11-8(3-10)4-12(15-11)9-5-13-7-14-6-9;1-2-5-4-6-3-1/h1-7,15-16H;1-4H.
What are the key properties of pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol?
pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol has a molecular weight of 291.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol is sourced from PubChem (CID 158787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).