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

C12H17ClF3N5 — CID 62863617

IUPAC6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-3-20(4-2)10-17-9(13)18-11(19-10)21(8-5-6-8)7-12(14,15)16/h8H,3-7H2,1-2H3
InChIKeyXJXBWDQXSZULTK-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.90
Rot. Bonds6

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

6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863617) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863617
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H17ClF3N5/c1-3-20(4-2)10-17-9(13)18-11(19-10)21(8-5-6-8)7-12(14,15)16/h8H,3-7H2,1-2H3
InChIKeyXJXBWDQXSZULTK-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-N-cyclopropyl-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80773987
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 63504788
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80809874
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 62863617) is 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XJXBWDQXSZULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c1-3-20(4-2)10-17-9(13)18-11(19-10)21(8-5-6-8)7-12(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 323.75 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).