2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine

C20H15N5 — CID 3590844

IUPAC2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H15N5/c1-2-5-15(6-3-1)20-24-18(16-7-4-10-22-14-16)13-19(25-20)23-17-8-11-21-12-9-17/h1-14H,(H,21,23,24,25)
InChIKeyAMZWAKJFQUEALJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.34
Rot. Bonds4

About 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine

2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 3590844) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID3590844
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H15N5/c1-2-5-15(6-3-1)20-24-18(16-7-4-10-22-14-16)13-19(25-20)23-17-8-11-21-12-9-17/h1-14H,(H,21,23,24,25)
InChIKeyAMZWAKJFQUEALJ-UHFFFAOYSA-N
XLogP4.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine (CID 3590844) is 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine is c1ccc(-c2nc(Nc3ccncc3)cc(-c3cccnc3)n2)cc1.
What is the InChIKey of 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is AMZWAKJFQUEALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-2-5-15(6-3-1)20-24-18(16-7-4-10-22-14-16)13-19(25-20)23-17-8-11-21-12-9-17/h1-14H,(H,21,23,24,25).
What are the key properties of 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine?
2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 325.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3590844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).