2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol

C15H18N4O — CID 749408

IUPAC2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol
SMILESCc1cc(N2CCNCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H18N4O/c1-11-10-14(19-8-6-16-7-9-19)18-15(17-11)12-4-2-3-5-13(12)20/h2-5,10,16,20H,6-9H2,1H3
InChIKeyLSBFDECOGCIELU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.57
Rot. Bonds2

About 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol

2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol (PubChem CID 749408) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol
PubChem CID749408
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol
SMILESCc1cc(N2CCNCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H18N4O/c1-11-10-14(19-8-6-16-7-9-19)18-15(17-11)12-4-2-3-5-13(12)20/h2-5,10,16,20H,6-9H2,1H3
InChIKeyLSBFDECOGCIELU-UHFFFAOYSA-N
XLogP1.57
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol 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 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol (CID 749408) is 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol is Cc1cc(N2CCNCC2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol?
The InChIKey is LSBFDECOGCIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-10-14(19-8-6-16-7-9-19)18-15(17-11)12-4-2-3-5-13(12)20/h2-5,10,16,20H,6-9H2,1H3.
What are the key properties of 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol?
2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol has a molecular weight of 270.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 749408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).