5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine

C14H14F2N4 — CID 146380808

IUPAC5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CCC[C@H]2c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H14F2N4/c15-10-4-9(5-11(16)6-10)12-2-1-3-20(12)14-8-18-13(17)7-19-14/h4-8,12H,1-3H2,(H2,17,18)/t12-/m0/s1
InChIKeyQITNRQVIALCWGO-LBPRGKRZSA-N
MW276.29 g/mol
LogP2.68
Rot. Bonds2

About 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine

5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine (PubChem CID 146380808) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
PubChem CID146380808
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CCC[C@H]2c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H14F2N4/c15-10-4-9(5-11(16)6-10)12-2-1-3-20(12)14-8-18-13(17)7-19-14/h4-8,12H,1-3H2,(H2,17,18)/t12-/m0/s1
InChIKeyQITNRQVIALCWGO-LBPRGKRZSA-N
XLogP2.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine (CID 146380808) is 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine is Nc1cnc(N2CCC[C@H]2c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine?
The InChIKey is QITNRQVIALCWGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14F2N4/c15-10-4-9(5-11(16)6-10)12-2-1-3-20(12)14-8-18-13(17)7-19-14/h4-8,12H,1-3H2,(H2,17,18)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine?
5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine has a molecular weight of 276.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 146380808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).