6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine

C13H14F2N6 — CID 146489764

IUPAC6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine
SMILESCC1CN(c2ncc(-c3cncc(N)n3)cn2)CC1(F)F
InChIInChI=1S/C13H14F2N6/c1-8-6-21(7-13(8,14)15)12-18-2-9(3-19-12)10-4-17-5-11(16)20-10/h2-5,8H,6-7H2,1H3,(H2,16,20)
InChIKeyUOXLPSSRVDCMLJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.61
Rot. Bonds2

About 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine

6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine (PubChem CID 146489764) has the molecular formula C13H14F2N6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine
PubChem CID146489764
Molecular FormulaC13H14F2N6
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine
SMILESCC1CN(c2ncc(-c3cncc(N)n3)cn2)CC1(F)F
InChIInChI=1S/C13H14F2N6/c1-8-6-21(7-13(8,14)15)12-18-2-9(3-19-12)10-4-17-5-11(16)20-10/h2-5,8H,6-7H2,1H3,(H2,16,20)
InChIKeyUOXLPSSRVDCMLJ-UHFFFAOYSA-N
XLogP1.61
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine?
The IUPAC name of 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine (CID 146489764) is 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine?
The canonical SMILES for 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine is CC1CN(c2ncc(-c3cncc(N)n3)cn2)CC1(F)F.
What is the InChIKey of 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine?
The InChIKey is UOXLPSSRVDCMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N6/c1-8-6-21(7-13(8,14)15)12-18-2-9(3-19-12)10-4-17-5-11(16)20-10/h2-5,8H,6-7H2,1H3,(H2,16,20).
What are the key properties of 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine?
6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine has a molecular weight of 292.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-amine is sourced from PubChem (CID 146489764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).