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

C10H15ClF3N5 — CID 62863959

IUPAC6-chloro-4-N,4-N-dimethyl-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(C)C)n1
InChIInChI=1S/C10H15ClF3N5/c1-4-5-19(6-10(12,13)14)9-16-7(11)15-8(17-9)18(2)3/h4-6H2,1-3H3
InChIKeyCFMAUWCSARCFIT-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.37
Rot. Bonds5

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

6-chloro-4-N,4-N-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863959) has the molecular formula C10H15ClF3N5 and a molecular weight of 297.71 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-dimethyl-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-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863959
Molecular FormulaC10H15ClF3N5
Molecular Weight297.71 g/mol
Exact Mass297.10
IUPAC Name6-chloro-4-N,4-N-dimethyl-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(C)C)n1
InChIInChI=1S/C10H15ClF3N5/c1-4-5-19(6-10(12,13)14)9-16-7(11)15-8(17-9)18(2)3/h4-6H2,1-3H3
InChIKeyCFMAUWCSARCFIT-UHFFFAOYSA-N
XLogP2.37
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.37
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-dimethyl-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-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 62863959) is 6-chloro-4-N,4-N-dimethyl-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-dimethyl-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-dimethyl-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(C)C)n1.
What is the InChIKey of 6-chloro-4-N,4-N-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CFMAUWCSARCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N5/c1-4-5-19(6-10(12,13)14)9-16-7(11)15-8(17-9)18(2)3/h4-6H2,1-3H3.
What are the key properties of 6-chloro-4-N,4-N-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N,4-N-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 297.71 g/mol, XLogP of 2.37, 5 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-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).