2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C11H20F2N6O — CID 57378018

IUPAC2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(NOCC(F)F)n1
InChIInChI=1S/C11H20F2N6O/c1-3-5-14-9-16-10(15-6-4-2)18-11(17-9)19-20-7-8(12)13/h8H,3-7H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyJXEGHKNWISAGCP-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.12
Rot. Bonds10

About 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 57378018) has the molecular formula C11H20F2N6O and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID57378018
Molecular FormulaC11H20F2N6O
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Name2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(NOCC(F)F)n1
InChIInChI=1S/C11H20F2N6O/c1-3-5-14-9-16-10(15-6-4-2)18-11(17-9)19-20-7-8(12)13/h8H,3-7H2,1-2H3,(H3,14,15,16,17,18,19)
InChIKeyJXEGHKNWISAGCP-UHFFFAOYSA-N
XLogP2.12
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 123408830
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 57378018) is 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCCC)nc(NOCC(F)F)n1.
What is the InChIKey of 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JXEGHKNWISAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N6O/c1-3-5-14-9-16-10(15-6-4-2)18-11(17-9)19-20-7-8(12)13/h8H,3-7H2,1-2H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.32 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57378018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).