2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C15H17F3N6O — CID 172900736

IUPAC2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)o1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)14-23-22-12(25-14)8-24-6-4-10(7-24)20-11-3-5-19-13(21-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,19,20,21)
InChIKeyVSSLQWZWHLCGQS-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172900736) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172900736
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)o1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)14-23-22-12(25-14)8-24-6-4-10(7-24)20-11-3-5-19-13(21-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,19,20,21)
InChIKeyVSSLQWZWHLCGQS-UHFFFAOYSA-N
XLogP2.44
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172900736) is 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is FC(F)(F)c1nnc(CN2CCC(Nc3ccnc(C4CC4)n3)C2)o1.
What is the InChIKey of 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is VSSLQWZWHLCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c16-15(17,18)14-23-22-12(25-14)8-24-6-4-10(7-24)20-11-3-5-19-13(21-11)9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 354.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172900736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).