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

C14H16F2N4 — CID 86716003

IUPAC2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(C2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16F2N4/c15-14(16)3-5-20(6-4-14)12(7-17)11-8-18-13(19-9-11)10-1-2-10/h8-10,12H,1-6H2
InChIKeySGCIIKIKNSVVJJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.65
Rot. Bonds3

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

2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (PubChem CID 86716003) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
PubChem CID86716003
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(C2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16F2N4/c15-14(16)3-5-20(6-4-14)12(7-17)11-8-18-13(19-9-11)10-1-2-10/h8-10,12H,1-6H2
InChIKeySGCIIKIKNSVVJJ-UHFFFAOYSA-N
XLogP2.65
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (CID 86716003) is 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is N#CC(c1cnc(C2CC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The InChIKey is SGCIIKIKNSVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c15-14(16)3-5-20(6-4-14)12(7-17)11-8-18-13(19-9-11)10-1-2-10/h8-10,12H,1-6H2.
What are the key properties of 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 86716003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).