4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine

C10H13ClF3N5 — CID 63227511

IUPAC4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClF3N5/c11-7-16-8(15-4-3-10(12,13)14)18-9(17-7)19-5-1-2-6-19/h1-6H2,(H,15,16,17,18)
InChIKeyYYWMKHOPUZLNAU-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.49
Rot. Bonds4

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

4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 63227511) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
PubChem CID63227511
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClF3N5/c11-7-16-8(15-4-3-10(12,13)14)18-9(17-7)19-5-1-2-6-19/h1-6H2,(H,15,16,17,18)
InChIKeyYYWMKHOPUZLNAU-UHFFFAOYSA-N
XLogP2.49
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine (CID 63227511) is 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is FC(F)(F)CCNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is YYWMKHOPUZLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5/c11-7-16-8(15-4-3-10(12,13)14)18-9(17-7)19-5-1-2-6-19/h1-6H2,(H,15,16,17,18).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63227511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).