2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile

C19H23N5 — CID 112876525

IUPAC2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCCC1CCCCN1c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C19H23N5/c1-3-16-9-6-7-11-24(16)19-12-18(21-14(2)22-19)23-17-10-5-4-8-15(17)13-20/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3,(H,21,22,23)
InChIKeyIWMCAIZQECGXRA-UHFFFAOYSA-N
MW321.43 g/mol
LogP4.17
Rot. Bonds4

About 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile

2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112876525) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112876525
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCCC1CCCCN1c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C19H23N5/c1-3-16-9-6-7-11-24(16)19-12-18(21-14(2)22-19)23-17-10-5-4-8-15(17)13-20/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3,(H,21,22,23)
InChIKeyIWMCAIZQECGXRA-UHFFFAOYSA-N
XLogP4.17
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112869316
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile (CID 112876525) is 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile is CCC1CCCCN1c1cc(Nc2ccccc2C#N)nc(C)n1.
What is the InChIKey of 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is IWMCAIZQECGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-16-9-6-7-11-24(16)19-12-18(21-14(2)22-19)23-17-10-5-4-8-15(17)13-20/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile?
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 321.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112876525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).