4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine

C10H16F2N4O2 — CID 82010193

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(OCC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-3-5-17-9-14-8(13-4-2)15-10(16-9)18-6-7(11)12/h7H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyNDPAKHGTHJMBDT-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.74
Rot. Bonds8

About 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 82010193) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID82010193
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(OCC(F)F)n1
InChIInChI=1S/C10H16F2N4O2/c1-3-5-17-9-14-8(13-4-2)15-10(16-9)18-6-7(11)12/h7H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyNDPAKHGTHJMBDT-UHFFFAOYSA-N
XLogP1.74
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835670
N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine (CID 82010193) is 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(OCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is NDPAKHGTHJMBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-3-5-17-9-14-8(13-4-2)15-10(16-9)18-6-7(11)12/h7H,3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 262.26 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82010193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).