4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C16H21F2N5O — CID 133433154

IUPAC4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2ccccc2OC(F)F)nc(N(C)C)n1
InChIInChI=1S/C16H21F2N5O/c1-10(2)13-20-15(22-16(21-13)23(3)4)19-9-11-7-5-6-8-12(11)24-14(17)18/h5-8,10,14H,9H2,1-4H3,(H,19,20,21,22)
InChIKeyYKSWDCJTQGAQFK-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.27
Rot. Bonds7

About 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133433154) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133433154
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCc2ccccc2OC(F)F)nc(N(C)C)n1
InChIInChI=1S/C16H21F2N5O/c1-10(2)13-20-15(22-16(21-13)23(3)4)19-9-11-7-5-6-8-12(11)24-14(17)18/h5-8,10,14H,9H2,1-4H3,(H,19,20,21,22)
InChIKeyYKSWDCJTQGAQFK-UHFFFAOYSA-N
XLogP3.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3-pyridin-2-ylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 133421851
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine
CID 109406714
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133433154) is 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCc2ccccc2OC(F)F)nc(N(C)C)n1.
What is the InChIKey of 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YKSWDCJTQGAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-10(2)13-20-15(22-16(21-13)23(3)4)19-9-11-7-5-6-8-12(11)24-14(17)18/h5-8,10,14H,9H2,1-4H3,(H,19,20,21,22).
What are the key properties of 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 337.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133433154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).