N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

C11H16F2N4 — CID 164629971

IUPACN-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESFC(F)CN1CC[C@H](CNc2cnccn2)C1
InChIInChI=1S/C11H16F2N4/c12-10(13)8-17-4-1-9(7-17)5-16-11-6-14-2-3-15-11/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)/t9-/m1/s1
InChIKeyVVFPBRQYRQUGJP-SECBINFHSA-N
MW242.27 g/mol
LogP1.48
Rot. Bonds5

About N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 164629971) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
PubChem CID164629971
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESFC(F)CN1CC[C@H](CNc2cnccn2)C1
InChIInChI=1S/C11H16F2N4/c12-10(13)8-17-4-1-9(7-17)5-16-11-6-14-2-3-15-11/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)/t9-/m1/s1
InChIKeyVVFPBRQYRQUGJP-SECBINFHSA-N
XLogP1.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (CID 164629971) is N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is FC(F)CN1CC[C@H](CNc2cnccn2)C1.
What is the InChIKey of N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is VVFPBRQYRQUGJP-SECBINFHSA-N. The full InChI is InChI=1S/C11H16F2N4/c12-10(13)8-17-4-1-9(7-17)5-16-11-6-14-2-3-15-11/h2-3,6,9-10H,1,4-5,7-8H2,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 164629971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).