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

C15H15N5 — CID 57392312

IUPAC4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NC2CC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N5/c1-10-8-14(18-12-6-7-12)20-15(17-10)19-13-4-2-11(9-16)3-5-13/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyVQXZVKWGZUUKRB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.97
Rot. Bonds4

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

4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (PubChem CID 57392312) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
PubChem CID57392312
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NC2CC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N5/c1-10-8-14(18-12-6-7-12)20-15(17-10)19-13-4-2-11(9-16)3-5-13/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyVQXZVKWGZUUKRB-UHFFFAOYSA-N
XLogP2.97
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (CID 57392312) is 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is Cc1cc(NC2CC2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The InChIKey is VQXZVKWGZUUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-8-14(18-12-6-7-12)20-15(17-10)19-13-4-2-11(9-16)3-5-13/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 57392312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).