2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C13H17F3N4 — CID 133300100

IUPAC2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)8-20-6-4-10(7-20)18-11-3-5-17-12(19-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,17,18,19)
InChIKeyIUSBGWSYNGTJPA-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.40
Rot. Bonds4

About 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 133300100) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID133300100
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)8-20-6-4-10(7-20)18-11-3-5-17-12(19-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,17,18,19)
InChIKeyIUSBGWSYNGTJPA-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 133300100) is 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine is FC(F)(F)CN1CCC(Nc2ccnc(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is IUSBGWSYNGTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)8-20-6-4-10(7-20)18-11-3-5-17-12(19-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 133300100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).