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

C12H17ClF5N5 — CID 163460730

IUPAC6-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
SMILESC[C@@H](Nc1nc(Cl)nc(NCC(CCF)CCF)n1)C(F)(F)F
InChIInChI=1S/C12H17ClF5N5/c1-7(12(16,17)18)20-11-22-9(13)21-10(23-11)19-6-8(2-4-14)3-5-15/h7-8H,2-6H2,1H3,(H2,19,20,21,22,23)/t7-/m1/s1
InChIKeyBOHYPVOTGWSAKV-SSDOTTSWSA-N
MW361.75 g/mol
LogP3.63
Rot. Bonds9

About 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

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 (PubChem CID 163460730) has the molecular formula C12H17ClF5N5 and a molecular weight of 361.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163460730
Molecular FormulaC12H17ClF5N5
Molecular Weight361.75 g/mol
Exact Mass361.11
IUPAC Name6-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
SMILESC[C@@H](Nc1nc(Cl)nc(NCC(CCF)CCF)n1)C(F)(F)F
InChIInChI=1S/C12H17ClF5N5/c1-7(12(16,17)18)20-11-22-9(13)21-10(23-11)19-6-8(2-4-14)3-5-15/h7-8H,2-6H2,1H3,(H2,19,20,21,22,23)/t7-/m1/s1
InChIKeyBOHYPVOTGWSAKV-SSDOTTSWSA-N
XLogP3.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
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-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-(3,3-dimethylbut-1-ynyl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 167061122
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
2-[[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]butanenitrile
CID 117059331
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](Nc1nc(Cl)nc(NCC(CCF)CCF)n1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BOHYPVOTGWSAKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17ClF5N5/c1-7(12(16,17)18)20-11-22-9(13)21-10(23-11)19-6-8(2-4-14)3-5-15/h7-8H,2-6H2,1H3,(H2,19,20,21,22,23)/t7-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 361.75 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163460730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).