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

C15H23F2N5 — CID 58228179

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine
SMILESNCC(c1cnc(N2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5/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,1-9,18H2
InChIKeyTUDZTEKYPVRRRR-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.81
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine (PubChem CID 58228179) has the molecular formula C15H23F2N5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine
PubChem CID58228179
Molecular FormulaC15H23F2N5
Molecular Weight311.38 g/mol
Exact Mass311.19
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine
SMILESNCC(c1cnc(N2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5/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,1-9,18H2
InChIKeyTUDZTEKYPVRRRR-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.81
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
8-(2,2,2-Trifluoroethyl)-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 134790071
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
N,N-dimethyl-1-[2-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-2-yl]piperidin-4-amine
CID 72138323
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-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
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
N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine
CID 164635220

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine (CID 58228179) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine is NCC(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)ethanamine?
The InChIKey is TUDZTEKYPVRRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5/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,1-9,18H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethanamine has a molecular weight of 311.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 58228179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).