4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C14H26F2N6 — CID 86807772

IUPAC4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CCNc1nc(C(C)C)nc(N(C)C)n1)CC(F)F
InChIInChI=1S/C14H26F2N6/c1-6-22(9-11(15)16)8-7-17-13-18-12(10(2)3)19-14(20-13)21(4)5/h10-11H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyGZCFXYPDWGDZQR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.06
Rot. Bonds9

About 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 86807772) has the molecular formula C14H26F2N6 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID86807772
Molecular FormulaC14H26F2N6
Molecular Weight316.40 g/mol
Exact Mass316.22
IUPAC Name4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CCNc1nc(C(C)C)nc(N(C)C)n1)CC(F)F
InChIInChI=1S/C14H26F2N6/c1-6-22(9-11(15)16)8-7-17-13-18-12(10(2)3)19-14(20-13)21(4)5/h10-11H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyGZCFXYPDWGDZQR-UHFFFAOYSA-N
XLogP2.06
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 86807772) is 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-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-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(CCNc1nc(C(C)C)nc(N(C)C)n1)CC(F)F.
What is the InChIKey of 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZCFXYPDWGDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N6/c1-6-22(9-11(15)16)8-7-17-13-18-12(10(2)3)19-14(20-13)21(4)5/h10-11H,6-9H2,1-5H3,(H,17,18,19,20).
What are the key properties of 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 316.40 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2,2-difluoroethyl(ethyl)amino]ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 86807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).