N-phenyl-4-pyridin-3-ylpyrimidin-2-amine

C15H12N4 — CID 11311217

IUPACN-phenyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12/h1-11H,(H,17,18,19)
InChIKeyIJAJKPWVXDRQIB-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.28
Rot. Bonds3

About N-phenyl-4-pyridin-3-ylpyrimidin-2-amine

N-phenyl-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 11311217) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-phenyl-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID11311217
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC NameN-phenyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H12N4/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12/h1-11H,(H,17,18,19)
InChIKeyIJAJKPWVXDRQIB-UHFFFAOYSA-N
XLogP3.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine (CID 11311217) is N-phenyl-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is IJAJKPWVXDRQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-6-13(7-3-1)18-15-17-10-8-14(19-15)12-5-4-9-16-11-12/h1-11H,(H,17,18,19).
What are the key properties of N-phenyl-4-pyridin-3-ylpyrimidin-2-amine?
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 11311217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).