2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C14H13ClF3N5O — CID 141406789

IUPAC2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2(c3ccc(Cl)cc3)CC2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N5O/c15-9-3-1-8(2-4-9)13(5-6-13)23-11-20-10(19)21-12(22-11)24-7-14(16,17)18/h1-4H,5-7H2,(H3,19,20,21,22,23)
InChIKeySWBNNSCVTLPIEY-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.15
Rot. Bonds5

About 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 141406789) has the molecular formula C14H13ClF3N5O and a molecular weight of 359.74 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID141406789
Molecular FormulaC14H13ClF3N5O
Molecular Weight359.74 g/mol
Exact Mass359.08
IUPAC Name2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2(c3ccc(Cl)cc3)CC2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N5O/c15-9-3-1-8(2-4-9)13(5-6-13)23-11-20-10(19)21-12(22-11)24-7-14(16,17)18/h1-4H,5-7H2,(H3,19,20,21,22,23)
InChIKeySWBNNSCVTLPIEY-UHFFFAOYSA-N
XLogP3.15
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 141406789) is 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is Nc1nc(NC2(c3ccc(Cl)cc3)CC2)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is SWBNNSCVTLPIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O/c15-9-3-1-8(2-4-9)13(5-6-13)23-11-20-10(19)21-12(22-11)24-7-14(16,17)18/h1-4H,5-7H2,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 359.74 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141406789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).