3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol

C10H18F2N6O — CID 106179421

IUPAC3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1nc(NCC(F)(F)CO)nc(N(C)C)n1
InChIInChI=1S/C10H18F2N6O/c1-4-13-7-15-8(14-5-10(11,12)6-19)17-9(16-7)18(2)3/h19H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVRQVEAIZFJWFCI-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.41
Rot. Bonds7

About 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol

3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179421) has the molecular formula C10H18F2N6O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179421
Molecular FormulaC10H18F2N6O
Molecular Weight276.29 g/mol
Exact Mass276.15
IUPAC Name3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCNc1nc(NCC(F)(F)CO)nc(N(C)C)n1
InChIInChI=1S/C10H18F2N6O/c1-4-13-7-15-8(14-5-10(11,12)6-19)17-9(16-7)18(2)3/h19H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVRQVEAIZFJWFCI-UHFFFAOYSA-N
XLogP0.41
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80771087
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 114944712
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179428
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179400

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol (CID 106179421) is 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol is CCNc1nc(NCC(F)(F)CO)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is VRQVEAIZFJWFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N6O/c1-4-13-7-15-8(14-5-10(11,12)6-19)17-9(16-7)18(2)3/h19H,4-6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol?
3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 276.29 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).