2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine

C16H14N4 — CID 69180348

IUPAC2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1nccc(-c2ccccc2)n1
InChIInChI=1S/C16H14N4/c17-13-8-4-5-9-15(13)20-16-18-11-10-14(19-16)12-6-2-1-3-7-12/h1-11H,17H2,(H,18,19,20)
InChIKeyJJQRRMZGWWYMKP-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.47
Rot. Bonds3

About 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine

2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine (PubChem CID 69180348) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
PubChem CID69180348
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1nccc(-c2ccccc2)n1
InChIInChI=1S/C16H14N4/c17-13-8-4-5-9-15(13)20-16-18-11-10-14(19-16)12-6-2-1-3-7-12/h1-11H,17H2,(H,18,19,20)
InChIKeyJJQRRMZGWWYMKP-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.47
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 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine (CID 69180348) is 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine is Nc1ccccc1Nc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine?
The InChIKey is JJQRRMZGWWYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-13-8-4-5-9-15(13)20-16-18-11-10-14(19-16)12-6-2-1-3-7-12/h1-11H,17H2,(H,18,19,20).
What are the key properties of 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine?
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 69180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).