2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile

C14H17F2N5 — CID 58228405

IUPAC2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-6H2,(H,18,19,20)
InChIKeyJDGJKKMZCCXFED-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile

2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile (PubChem CID 58228405) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
PubChem CID58228405
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-6H2,(H,18,19,20)
InChIKeyJDGJKKMZCCXFED-UHFFFAOYSA-N
XLogP2.35
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
5-ethyl-N-[(3S)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186977
5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
CID 97195992
5-ethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 97197180
1-cyclohexyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]piperidin-4-amine
CID 121545390
2-(2-Aminopyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227867
beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227873
2-[2-(Cyclopropylmethoxy)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227881
(2S)-2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile (CID 58228405) is 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile is N#CC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The InChIKey is JDGJKKMZCCXFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-6H2,(H,18,19,20).
What are the key properties of 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile has a molecular weight of 293.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 58228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).