6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine

C4H5F2N5O — CID 133061552

IUPAC6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(F)F)n1
InChIInChI=1S/C4H5F2N5O/c5-1(6)12-4-10-2(7)9-3(8)11-4/h1H,(H4,7,8,9,10,11)
InChIKeyXUKBDEUFUURNPZ-UHFFFAOYSA-N
MW177.11 g/mol
LogP-0.36
Rot. Bonds2

About 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine

6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 133061552) has the molecular formula C4H5F2N5O and a molecular weight of 177.11 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID133061552
Molecular FormulaC4H5F2N5O
Molecular Weight177.11 g/mol
Exact Mass177.05
IUPAC Name6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(F)F)n1
InChIInChI=1S/C4H5F2N5O/c5-1(6)12-4-10-2(7)9-3(8)11-4/h1H,(H4,7,8,9,10,11)
InChIKeyXUKBDEUFUURNPZ-UHFFFAOYSA-N
XLogP-0.36
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
6-benzhydryloxy-1,3,5-triazine-2,4-diamine
CID 71405341
6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951
6-[tert-butyl(dimethyl)silyl]oxy-1,3,5-triazine-2,4-diamine
CID 91728482
4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989508
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 133061552) is 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(OC(F)F)n1.
What is the InChIKey of 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is XUKBDEUFUURNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N5O/c5-1(6)12-4-10-2(7)9-3(8)11-4/h1H,(H4,7,8,9,10,11).
What are the key properties of 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine?
6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 177.11 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133061552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).