2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine

C8H10F2N4 — CID 130704965

IUPAC2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C8H10F2N4/c9-8(10)1-2-14(5-8)7-12-3-6(11)4-13-7/h3-4H,1-2,5,11H2
InChIKeyYXURLSXRCNGXSI-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.90
Rot. Bonds1

About 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine

2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine (PubChem CID 130704965) has the molecular formula C8H10F2N4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
PubChem CID130704965
Molecular FormulaC8H10F2N4
Molecular Weight200.19 g/mol
Exact Mass200.09
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C8H10F2N4/c9-8(10)1-2-14(5-8)7-12-3-6(11)4-13-7/h3-4H,1-2,5,11H2
InChIKeyYXURLSXRCNGXSI-UHFFFAOYSA-N
XLogP0.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine (CID 130704965) is 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine is Nc1cnc(N2CCC(F)(F)C2)nc1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine?
The InChIKey is YXURLSXRCNGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4/c9-8(10)1-2-14(5-8)7-12-3-6(11)4-13-7/h3-4H,1-2,5,11H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine?
2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine has a molecular weight of 200.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 130704965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).