2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine

C9H12F2N4 — CID 174159396

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(N2CCC(F)(F)C2)nc1N
InChIInChI=1S/C9H12F2N4/c1-6-4-13-8(14-7(6)12)15-3-2-9(10,11)5-15/h4H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyAHKUATCLYOYYIV-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.21
Rot. Bonds1

About 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine

2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine (PubChem CID 174159396) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine
PubChem CID174159396
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(N2CCC(F)(F)C2)nc1N
InChIInChI=1S/C9H12F2N4/c1-6-4-13-8(14-7(6)12)15-3-2-9(10,11)5-15/h4H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyAHKUATCLYOYYIV-UHFFFAOYSA-N
XLogP1.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.21
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)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine (CID 174159396) is 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine is Cc1cnc(N2CCC(F)(F)C2)nc1N.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine?
The InChIKey is AHKUATCLYOYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/c1-6-4-13-8(14-7(6)12)15-3-2-9(10,11)5-15/h4H,2-3,5H2,1H3,(H2,12,13,14).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine?
2-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidin-4-amine has a molecular weight of 214.22 g/mol, XLogP of 1.21, 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)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 174159396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).