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

C12H15ClF3N5 — CID 62863616

IUPAC4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C12H15ClF3N5/c13-9-17-10(20-5-1-2-6-20)19-11(18-9)21(8-3-4-8)7-12(14,15)16/h8H,1-7H2
InChIKeyUNWQKFBGNQDQMD-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.66
Rot. Bonds4

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

4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62863616) has the molecular formula C12H15ClF3N5 and a molecular weight of 321.73 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62863616
Molecular FormulaC12H15ClF3N5
Molecular Weight321.73 g/mol
Exact Mass321.10
IUPAC Name4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C12H15ClF3N5/c13-9-17-10(20-5-1-2-6-20)19-11(18-9)21(8-3-4-8)7-12(14,15)16/h8H,1-7H2
InChIKeyUNWQKFBGNQDQMD-UHFFFAOYSA-N
XLogP2.66
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62863616) is 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is FC(F)(F)CN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is UNWQKFBGNQDQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N5/c13-9-17-10(20-5-1-2-6-20)19-11(18-9)21(8-3-4-8)7-12(14,15)16/h8H,1-7H2.
What are the key properties of 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 321.73 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).