5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine

C14H11N5 — CID 169410707

IUPAC5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cncnc2Nc2cnccn2)cc1
InChIInChI=1S/C14H11N5/c1-2-4-11(5-3-1)12-8-16-10-18-14(12)19-13-9-15-6-7-17-13/h1-10H,(H,16,17,18,19)
InChIKeyHOOODKNWBWHURU-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.68
Rot. Bonds3

About 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine

5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 169410707) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine
PubChem CID169410707
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cncnc2Nc2cnccn2)cc1
InChIInChI=1S/C14H11N5/c1-2-4-11(5-3-1)12-8-16-10-18-14(12)19-13-9-15-6-7-17-13/h1-10H,(H,16,17,18,19)
InChIKeyHOOODKNWBWHURU-UHFFFAOYSA-N
XLogP2.68
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine (CID 169410707) is 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine is c1ccc(-c2cncnc2Nc2cnccn2)cc1.
What is the InChIKey of 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is HOOODKNWBWHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-4-11(5-3-1)12-8-16-10-18-14(12)19-13-9-15-6-7-17-13/h1-10H,(H,16,17,18,19).
What are the key properties of 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine?
5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 249.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 169410707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).