4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine

C15H13N5 — CID 116974909

IUPAC4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C15H13N5/c16-13-1-3-14(4-2-13)20-15-18-9-12(10-19-15)11-5-7-17-8-6-11/h1-10H,16H2,(H,18,19,20)
InChIKeyFEXRWRZPVIQZQC-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds3

About 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine

4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 116974909) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
PubChem CID116974909
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C15H13N5/c16-13-1-3-14(4-2-13)20-15-18-9-12(10-19-15)11-5-7-17-8-6-11/h1-10H,16H2,(H,18,19,20)
InChIKeyFEXRWRZPVIQZQC-UHFFFAOYSA-N
XLogP2.86
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
CID 22416326
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 116974905
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 123186486
N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
CID 56642084
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
4-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenol
CID 11587099
2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
CID 61147087
5-N-pyridin-4-ylpyridine-2,5-diamine
CID 157044119
2-fluoro-5-pyridin-4-ylpyrimidine
CID 46315835

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine (CID 116974909) is 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2ncc(-c3ccncc3)cn2)cc1.
What is the InChIKey of 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is FEXRWRZPVIQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c16-13-1-3-14(4-2-13)20-15-18-9-12(10-19-15)11-5-7-17-8-6-11/h1-10H,16H2,(H,18,19,20).
What are the key properties of 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine?
4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 263.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 116974909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).