4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile

C15H15N5 — CID 80982222

IUPAC4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
SMILESCc1c(N)nc(C2CC2)nc1Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N5/c1-9-13(17)19-15(11-4-5-11)20-14(9)18-12-6-2-10(8-16)3-7-12/h2-3,6-7,11H,4-5H2,1H3,(H3,17,18,19,20)
InChIKeyPVJAQIWFZIETRL-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.86
Rot. Bonds3

About 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile

4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 80982222) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
PubChem CID80982222
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
SMILESCc1c(N)nc(C2CC2)nc1Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N5/c1-9-13(17)19-15(11-4-5-11)20-14(9)18-12-6-2-10(8-16)3-7-12/h2-3,6-7,11H,4-5H2,1H3,(H3,17,18,19,20)
InChIKeyPVJAQIWFZIETRL-UHFFFAOYSA-N
XLogP2.86
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile (CID 80982222) is 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile is Cc1c(N)nc(C2CC2)nc1Nc1ccc(C#N)cc1.
What is the InChIKey of 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is PVJAQIWFZIETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-13(17)19-15(11-4-5-11)20-14(9)18-12-6-2-10(8-16)3-7-12/h2-3,6-7,11H,4-5H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile?
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 80982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).