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

C10H14F3N5O — CID 80815110

IUPAC2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H14F3N5O/c1-2-19-9-16-7(14)15-8(17-9)18(6-3-4-6)5-10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyUUZBMFYWSDOWQS-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.38
Rot. Bonds5

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

2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80815110) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80815110
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H14F3N5O/c1-2-19-9-16-7(14)15-8(17-9)18(6-3-4-6)5-10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyUUZBMFYWSDOWQS-UHFFFAOYSA-N
XLogP1.38
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclohexylamino]ethanol
CID 80811347
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102875532
6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
2-N-cyclopropyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775722
4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275
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
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834687
N-cyclopropyl-N-(cyclopropylmethyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80918086

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80815110) is 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UUZBMFYWSDOWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-2-19-9-16-7(14)15-8(17-9)18(6-3-4-6)5-10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 277.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80815110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).