5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine

C13H11N5O — CID 151009630

IUPAC5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11N5O/c14-11-8-17-18-12(11)9-6-15-13(16-7-9)19-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18)
InChIKeyLVUUZBIELGJQEV-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.24
Rot. Bonds3

About 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine

5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine (PubChem CID 151009630) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine
PubChem CID151009630
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C13H11N5O/c14-11-8-17-18-12(11)9-6-15-13(16-7-9)19-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18)
InChIKeyLVUUZBIELGJQEV-UHFFFAOYSA-N
XLogP2.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine 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 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine (CID 151009630) is 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine?
The InChIKey is LVUUZBIELGJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-11-8-17-18-12(11)9-6-15-13(16-7-9)19-10-4-2-1-3-5-10/h1-8H,14H2,(H,17,18).
What are the key properties of 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine?
5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine has a molecular weight of 253.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxypyrimidin-5-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 151009630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).