4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline

C16H14N4 — CID 652390

IUPAC4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline
SMILESNc1ccc(-c2cnc(-c3ccc(N)cc3)nc2)cc1
InChIInChI=1S/C16H14N4/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H,17-18H2
InChIKeyLJQRDZHDYMOIIO-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.97
Rot. Bonds2

About 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline

4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline (PubChem CID 652390) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline
PubChem CID652390
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline
SMILESNc1ccc(-c2cnc(-c3ccc(N)cc3)nc2)cc1
InChIInChI=1S/C16H14N4/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H,17-18H2
InChIKeyLJQRDZHDYMOIIO-UHFFFAOYSA-N
XLogP2.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-(4-aminophenyl)pyrimidin-5-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline (CID 652390) is 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline is Nc1ccc(-c2cnc(-c3ccc(N)cc3)nc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline?
The InChIKey is LJQRDZHDYMOIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H,17-18H2.
What are the key properties of 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline?
4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline has a molecular weight of 262.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline is sourced from PubChem (CID 652390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).