6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine

C14H18FN5 — CID 21340369

IUPAC6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccccc1
InChIInChI=1S/C14H18FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h4-9H,1-3H3,(H3,16,17,18,19,20)
InChIKeySAXZJJUJZZBKPS-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.83
Rot. Bonds4

About 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 21340369) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID21340369
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccccc1
InChIInChI=1S/C14H18FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h4-9H,1-3H3,(H3,16,17,18,19,20)
InChIKeySAXZJJUJZZBKPS-UHFFFAOYSA-N
XLogP2.83
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-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 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 21340369) is 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(C)(C)F)n1)c1ccccc1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SAXZJJUJZZBKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h4-9H,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21340369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).