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

C15H12N4 — CID 116899054

IUPAC4-(4-pyridin-4-ylpyrimidin-2-yl)aniline
SMILESNc1ccc(-c2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H12N4/c16-13-3-1-12(2-4-13)15-18-10-7-14(19-15)11-5-8-17-9-6-11/h1-10H,16H2
InChIKeyVPVOQXNGHVPPFC-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.79
Rot. Bonds2

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

4-(4-pyridin-4-ylpyrimidin-2-yl)aniline (PubChem CID 116899054) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-pyridin-4-ylpyrimidin-2-yl)aniline
PubChem CID116899054
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-(4-pyridin-4-ylpyrimidin-2-yl)aniline
SMILESNc1ccc(-c2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C15H12N4/c16-13-3-1-12(2-4-13)15-18-10-7-14(19-15)11-5-8-17-9-6-11/h1-10H,16H2
InChIKeyVPVOQXNGHVPPFC-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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Related Compounds

4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
4-(4-thiophen-2-ylpyrimidin-2-yl)aniline
CID 116899039
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
CID 22416326
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
3-[4-(4-methylphenyl)pyrimidin-2-yl]aniline
CID 116898999
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline?
The IUPAC name of 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline (CID 116899054) is 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline?
The canonical SMILES for 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline is Nc1ccc(-c2nccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline?
The InChIKey is VPVOQXNGHVPPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-13-3-1-12(2-4-13)15-18-10-7-14(19-15)11-5-8-17-9-6-11/h1-10H,16H2.
What are the key properties of 4-(4-pyridin-4-ylpyrimidin-2-yl)aniline?
4-(4-pyridin-4-ylpyrimidin-2-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-(4-pyridin-4-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 116899054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).