6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C12H19ClF3N5 — CID 62864137

IUPAC6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H19ClF3N5/c1-4-7-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20(5-2)6-3/h4-8H2,1-3H3
InChIKeySCXUBUAZEFZRDR-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds7

About 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62864137) has the molecular formula C12H19ClF3N5 and a molecular weight of 325.77 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62864137
Molecular FormulaC12H19ClF3N5
Molecular Weight325.77 g/mol
Exact Mass325.13
IUPAC Name6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H19ClF3N5/c1-4-7-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20(5-2)6-3/h4-8H2,1-3H3
InChIKeySCXUBUAZEFZRDR-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 62864137) is 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCCN(CC(F)(F)F)c1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SCXUBUAZEFZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3N5/c1-4-7-21(8-12(14,15)16)11-18-9(13)17-10(19-11)20(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.77 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).