2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile

C13H19N5 — CID 55248845

IUPAC2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
SMILESCCc1cc(NC2CCN(CC#N)CC2)ncn1
InChIInChI=1S/C13H19N5/c1-2-11-9-13(16-10-15-11)17-12-3-6-18(7-4-12)8-5-14/h9-10,12H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyODIBYOUGACOSLO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile

2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile (PubChem CID 55248845) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
PubChem CID55248845
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
SMILESCCc1cc(NC2CCN(CC#N)CC2)ncn1
InChIInChI=1S/C13H19N5/c1-2-11-9-13(16-10-15-11)17-12-3-6-18(7-4-12)8-5-14/h9-10,12H,2-4,6-8H2,1H3,(H,15,16,17)
InChIKeyODIBYOUGACOSLO-UHFFFAOYSA-N
XLogP1.44
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
CID 63626089
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
2-[4-[(5-iodopyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 104843729
2-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79556884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile (CID 55248845) is 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile is CCc1cc(NC2CCN(CC#N)CC2)ncn1.
What is the InChIKey of 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile?
The InChIKey is ODIBYOUGACOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-11-9-13(16-10-15-11)17-12-3-6-18(7-4-12)8-5-14/h9-10,12H,2-4,6-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile?
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 55248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).