6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C8H11ClF3N5 — CID 14822093

IUPAC6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11ClF3N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyXRJIKNWNXXFVGV-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.32
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 14822093) has the molecular formula C8H11ClF3N5 and a molecular weight of 269.66 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID14822093
Molecular FormulaC8H11ClF3N5
Molecular Weight269.66 g/mol
Exact Mass269.07
IUPAC Name6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11ClF3N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyXRJIKNWNXXFVGV-UHFFFAOYSA-N
XLogP2.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-[4-fluoro-2-(2-fluoroethyl)butyl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 163460730
6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822079
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-[1-(trifluoromethyl)cyclopropyl]-1,3,5-triazine-2,4-diamine
CID 106219612
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 88724036

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 14822093) is 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XRJIKNWNXXFVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.66 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14822093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).