3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C18H22N8 — CID 154830464

IUPAC3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3nccnc3C#N)CC2)n1
InChIInChI=1S/C18H22N8/c1-14-22-16(24-6-2-3-7-24)12-17(23-14)25-8-10-26(11-9-25)18-15(13-19)20-4-5-21-18/h4-5,12H,2-3,6-11H2,1H3
InChIKeyFJCOGWJUFVTNIC-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.37
Rot. Bonds3

About 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 154830464) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID154830464
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3nccnc3C#N)CC2)n1
InChIInChI=1S/C18H22N8/c1-14-22-16(24-6-2-3-7-24)12-17(23-14)25-8-10-26(11-9-25)18-15(13-19)20-4-5-21-18/h4-5,12H,2-3,6-11H2,1H3
InChIKeyFJCOGWJUFVTNIC-UHFFFAOYSA-N
XLogP1.37
TPSA85.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile
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2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
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3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
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3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
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3-fluoro-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
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3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 171335787
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284896
3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 154830464) is 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile is Cc1nc(N2CCCC2)cc(N2CCN(c3nccnc3C#N)CC2)n1.
What is the InChIKey of 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FJCOGWJUFVTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-14-22-16(24-6-2-3-7-24)12-17(23-14)25-8-10-26(11-9-25)18-15(13-19)20-4-5-21-18/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 154830464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).