2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile

C14H21N5 — CID 115264917

IUPAC2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(NCCC2CCCCC2)ncn1
InChIInChI=1S/C14H21N5/c15-7-9-17-14-10-13(18-11-19-14)16-8-6-12-4-2-1-3-5-12/h10-12H,1-6,8-9H2,(H2,16,17,18,19)
InChIKeyNMGVGARBTKPPCW-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.79
Rot. Bonds6

About 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile

2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115264917) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID115264917
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESN#CCNc1cc(NCCC2CCCCC2)ncn1
InChIInChI=1S/C14H21N5/c15-7-9-17-14-10-13(18-11-19-14)16-8-6-12-4-2-1-3-5-12/h10-12H,1-6,8-9H2,(H2,16,17,18,19)
InChIKeyNMGVGARBTKPPCW-UHFFFAOYSA-N
XLogP2.79
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
2-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264871
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266821
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile (CID 115264917) is 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile is N#CCNc1cc(NCCC2CCCCC2)ncn1.
What is the InChIKey of 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is NMGVGARBTKPPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-7-9-17-14-10-13(18-11-19-14)16-8-6-12-4-2-1-3-5-12/h10-12H,1-6,8-9H2,(H2,16,17,18,19).
What are the key properties of 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 259.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115264917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).