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

C15H21N5 — CID 107552498

IUPAC6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H21N5/c1-11-9-12(10-16)19-15(18-11)20-8-3-2-6-14(20)13-5-4-7-17-13/h9,13-14,17H,2-8H2,1H3
InChIKeyRDBZSOYTZHMYNO-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.77
Rot. Bonds2

About 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile

6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107552498) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107552498
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCCCC2C2CCCN2)n1
InChIInChI=1S/C15H21N5/c1-11-9-12(10-16)19-15(18-11)20-8-3-2-6-14(20)13-5-4-7-17-13/h9,13-14,17H,2-8H2,1H3
InChIKeyRDBZSOYTZHMYNO-UHFFFAOYSA-N
XLogP1.77
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile (CID 107552498) is 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2CCCCC2C2CCCN2)n1.
What is the InChIKey of 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is RDBZSOYTZHMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-9-12(10-16)19-15(18-11)20-8-3-2-6-14(20)13-5-4-7-17-13/h9,13-14,17H,2-8H2,1H3.
What are the key properties of 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile?
6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).