2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile

C17H19N5 — CID 11346899

IUPAC2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H19N5/c18-12-14(15-8-4-5-10-19-15)16-9-11-20-17(22-16)21-13-6-2-1-3-7-13/h4-5,8-11,13-14H,1-3,6-7H2,(H,20,21,22)
InChIKeySSIMMAPMPROTFB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile

2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile (PubChem CID 11346899) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
PubChem CID11346899
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H19N5/c18-12-14(15-8-4-5-10-19-15)16-9-11-20-17(22-16)21-13-6-2-1-3-7-13/h4-5,8-11,13-14H,1-3,6-7H2,(H,20,21,22)
InChIKeySSIMMAPMPROTFB-UHFFFAOYSA-N
XLogP3.27
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile (CID 11346899) is 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile is N#CC(c1ccccn1)c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile?
The InChIKey is SSIMMAPMPROTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-12-14(15-8-4-5-10-19-15)16-9-11-20-17(22-16)21-13-6-2-1-3-7-13/h4-5,8-11,13-14H,1-3,6-7H2,(H,20,21,22).
What are the key properties of 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile?
2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 11346899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).