2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile

C15H19F2N5 — CID 58228499

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile
SMILESN#CC(c1cnc(N2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5/c16-15(17)3-7-21(8-4-15)13(9-18)12-10-19-14(20-11-12)22-5-1-2-6-22/h10-11,13H,1-8H2
InChIKeyJOTFUPQDHPCVFL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.37
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile (PubChem CID 58228499) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile
PubChem CID58228499
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile
SMILESN#CC(c1cnc(N2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5/c16-15(17)3-7-21(8-4-15)13(9-18)12-10-19-14(20-11-12)22-5-1-2-6-22/h10-11,13H,1-8H2
InChIKeyJOTFUPQDHPCVFL-UHFFFAOYSA-N
XLogP2.37
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2,2,2-Trifluoroethyl)-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 134790071
2-(2-Aminopyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227867
2-[2-(Cyclopropylmethoxy)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227881
I(2)-(4-Fluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227980
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-ylpyrimidin-5-yl)acetonitrile
CID 58227999
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
CID 58228007
2-(2-Cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58228010
2-(3-Fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228053
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)acetonitrile
CID 58228103
2-(2-Methylpiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228151
2-(4,4-Difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile
CID 58228171
2-(4,4-Difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine
CID 58228179

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile (CID 58228499) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile is N#CC(c1cnc(N2CCCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile?
The InChIKey is JOTFUPQDHPCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c16-15(17)3-7-21(8-4-15)13(9-18)12-10-19-14(20-11-12)22-5-1-2-6-22/h10-11,13H,1-8H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 58228499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).