N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine

C11H16F3N5O — CID 82959420

IUPACN-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-2-3-6-19)18-10(17-8)20-7-4-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18)
InChIKeySPYXLSAXWWYIDV-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.84
Rot. Bonds5

About N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine

N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 82959420) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID82959420
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-2-3-6-19)18-10(17-8)20-7-4-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18)
InChIKeySPYXLSAXWWYIDV-UHFFFAOYSA-N
XLogP1.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (CID 82959420) is N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is CNc1nc(OCCC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is SPYXLSAXWWYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-15-8-16-9(19-5-2-3-6-19)18-10(17-8)20-7-4-11(12,13)14/h2-7H2,1H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82959420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).