2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C7H11F2N5O — CID 115409503

IUPAC2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC(F)F)nc(OC)n1
InChIInChI=1S/C7H11F2N5O/c1-10-5-12-6(11-3-4(8)9)14-7(13-5)15-2/h4H,3H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyFPUSHGCCJPPJAB-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.60
Rot. Bonds5

About 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 115409503) has the molecular formula C7H11F2N5O and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID115409503
Molecular FormulaC7H11F2N5O
Molecular Weight219.19 g/mol
Exact Mass219.09
IUPAC Name2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC(F)F)nc(OC)n1
InChIInChI=1S/C7H11F2N5O/c1-10-5-12-6(11-3-4(8)9)14-7(13-5)15-2/h4H,3H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyFPUSHGCCJPPJAB-UHFFFAOYSA-N
XLogP0.60
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159577
4-(2,2-difluoroethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 82009818
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
6-methoxy-4-N-methyl-2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113479536
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106042094
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 115409503) is 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCC(F)F)nc(OC)n1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FPUSHGCCJPPJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O/c1-10-5-12-6(11-3-4(8)9)14-7(13-5)15-2/h4H,3H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 219.19 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115409503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).