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

C17H19N5 — CID 57392311

IUPAC4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NC2CCCC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H19N5/c1-12-10-16(20-14-4-2-3-5-14)22-17(19-12)21-15-8-6-13(11-18)7-9-15/h6-10,14H,2-5H2,1H3,(H2,19,20,21,22)
InChIKeyFVIWCGRPXIYOIR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.75
Rot. Bonds4

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

4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (PubChem CID 57392311) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
PubChem CID57392311
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(NC2CCCC2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H19N5/c1-12-10-16(20-14-4-2-3-5-14)22-17(19-12)21-15-8-6-13(11-18)7-9-15/h6-10,14H,2-5H2,1H3,(H2,19,20,21,22)
InChIKeyFVIWCGRPXIYOIR-UHFFFAOYSA-N
XLogP3.75
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (CID 57392311) is 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is Cc1cc(NC2CCCC2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The InChIKey is FVIWCGRPXIYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-10-16(20-14-4-2-3-5-14)22-17(19-12)21-15-8-6-13(11-18)7-9-15/h6-10,14H,2-5H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 57392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).