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

C12H20F3N5O — CID 82782437

IUPAC2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCCCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C12H20F3N5O/c1-4-7-16-9-17-10(20(2)3)19-11(18-9)21-8-5-6-12(13,14)15/h4-8H2,1-3H3,(H,16,17,18,19)
InChIKeyQFRFPXBYLFYKOB-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.48
Rot. Bonds8

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

2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 82782437) has the molecular formula C12H20F3N5O and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
PubChem CID82782437
Molecular FormulaC12H20F3N5O
Molecular Weight307.32 g/mol
Exact Mass307.16
IUPAC Name2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCCCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C12H20F3N5O/c1-4-7-16-9-17-10(20(2)3)19-11(18-9)21-8-5-6-12(13,14)15/h4-8H2,1-3H3,(H,16,17,18,19)
InChIKeyQFRFPXBYLFYKOB-UHFFFAOYSA-N
XLogP2.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
2-N,2-N,6-N-trimethyl-4-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4,6-triamine
CID 115523189
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869615
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (CID 82782437) is 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is CCCNc1nc(OCCCC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is QFRFPXBYLFYKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O/c1-4-7-16-9-17-10(20(2)3)19-11(18-9)21-8-5-6-12(13,14)15/h4-8H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.32 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82782437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).