2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile

C16H20F2N4 — CID 58228010

IUPAC2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H20F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-8H2
InChIKeyLOIMPHXJFAOCTF-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.43
Rot. Bonds3

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

2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (PubChem CID 58228010) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
PubChem CID58228010
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H20F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-8H2
InChIKeyLOIMPHXJFAOCTF-UHFFFAOYSA-N
XLogP3.43
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (CID 58228010) is 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is N#CC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The InChIKey is LOIMPHXJFAOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-8H2.
What are the key properties of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile has a molecular weight of 306.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 58228010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).