6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C9H15F2N5O — CID 14014318

IUPAC6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(OC(F)F)n1
InChIInChI=1S/C9H15F2N5O/c1-4-12-7-14-8(13-5(2)3)16-9(15-7)17-6(10)11/h5-6H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyXQVGBDLRHHEQKZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.73
Rot. Bonds6

About 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 14014318) has the molecular formula C9H15F2N5O and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID14014318
Molecular FormulaC9H15F2N5O
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(OC(F)F)n1
InChIInChI=1S/C9H15F2N5O/c1-4-12-7-14-8(13-5(2)3)16-9(15-7)17-6(10)11/h5-6H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyXQVGBDLRHHEQKZ-UHFFFAOYSA-N
XLogP1.73
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 14014318) is 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(OC(F)F)n1.
What is the InChIKey of 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XQVGBDLRHHEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O/c1-4-12-7-14-8(13-5(2)3)16-9(15-7)17-6(10)11/h5-6H,4H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14014318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).