2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile

C14H19N5 — CID 107552499

IUPAC2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCCC2C2CCCN2)n1
InChIInChI=1S/C14H19N5/c15-10-11-6-8-17-14(18-11)19-9-2-1-5-13(19)12-4-3-7-16-12/h6,8,12-13,16H,1-5,7,9H2
InChIKeyWWJHCFFBDCJROX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds2

About 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile

2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107552499) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107552499
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCCC2C2CCCN2)n1
InChIInChI=1S/C14H19N5/c15-10-11-6-8-17-14(18-11)19-9-2-1-5-13(19)12-4-3-7-16-12/h6,8,12-13,16H,1-5,7,9H2
InChIKeyWWJHCFFBDCJROX-UHFFFAOYSA-N
XLogP1.46
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107552498
2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552500
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107061252
2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
CID 63254716
4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 62274954
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 55053823
5-bromo-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114893925
2-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 55214728
2-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 81279502
2-bromo-6-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114884751
4-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 66318975
2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 144779468

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile (CID 107552499) is 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCCCC2C2CCCN2)n1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is WWJHCFFBDCJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-10-11-6-8-17-14(18-11)19-9-2-1-5-13(19)12-4-3-7-16-12/h6,8,12-13,16H,1-5,7,9H2.
What are the key properties of 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).