4-(2-pyridin-4-ylpyrimidin-5-yl)aniline

C15H12N4 — CID 22416326

IUPAC4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cnc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C15H12N4/c16-14-3-1-11(2-4-14)13-9-18-15(19-10-13)12-5-7-17-8-6-12/h1-10H,16H2
InChIKeyCNUOYPLRGIIDSC-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.79
Rot. Bonds2

About 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline

4-(2-pyridin-4-ylpyrimidin-5-yl)aniline (PubChem CID 22416326) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline.

Molecular Properties

Compound Name4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
PubChem CID22416326
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cnc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C15H12N4/c16-14-3-1-11(2-4-14)13-9-18-15(19-10-13)12-5-7-17-8-6-12/h1-10H,16H2
InChIKeyCNUOYPLRGIIDSC-UHFFFAOYSA-N
XLogP2.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline?
The IUPAC name of 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline (CID 22416326) is 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline.
What is the SMILES notation for 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline?
The canonical SMILES for 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline is Nc1ccc(-c2cnc(-c3ccncc3)nc2)cc1.
What is the InChIKey of 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline?
The InChIKey is CNUOYPLRGIIDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-14-3-1-11(2-4-14)13-9-18-15(19-10-13)12-5-7-17-8-6-12/h1-10H,16H2.
What are the key properties of 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline?
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline has a molecular weight of 248.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylpyrimidin-5-yl)aniline is sourced from PubChem (CID 22416326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).