4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile

C14H21N5O — CID 67979921

IUPAC4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(C#N)(OCCN)CC2)n1
InChIInChI=1S/C14H21N5O/c1-11-9-12(2)18-13(17-11)19-6-3-14(10-16,4-7-19)20-8-5-15/h9H,3-8,15H2,1-2H3
InChIKeyNCVCQHVWBNDGMC-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.93
Rot. Bonds4

About 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile

4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile (PubChem CID 67979921) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile
PubChem CID67979921
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(C#N)(OCCN)CC2)n1
InChIInChI=1S/C14H21N5O/c1-11-9-12(2)18-13(17-11)19-6-3-14(10-16,4-7-19)20-8-5-15/h9H,3-8,15H2,1-2H3
InChIKeyNCVCQHVWBNDGMC-UHFFFAOYSA-N
XLogP0.93
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;4-(2-aminoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid;4-(2-azidoethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;2-chloro-4-methoxy-6-methylpyrimidine;1,4-dioxa-8-azaspiro[4.5]decane;4-(2-hydroxyethoxy)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carbonitrile;methane;8-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 158280466
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
1-(4-cyano-6-methylpyrimidin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 107542962
1-(4-cyano-6-methylpyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 107542961
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 112634707
[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 115973341
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile (CID 67979921) is 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile is Cc1cc(C)nc(N2CCC(C#N)(OCCN)CC2)n1.
What is the InChIKey of 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile?
The InChIKey is NCVCQHVWBNDGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-9-12(2)18-13(17-11)19-6-3-14(10-16,4-7-19)20-8-5-15/h9H,3-8,15H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile?
4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 67979921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).