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

C17H24FN5 — CID 11023543

IUPAC6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16/h5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyLPLLQXLXIZDBGB-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.48
Rot. Bonds7

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

6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11023543) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11023543
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16/h5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyLPLLQXLXIZDBGB-UHFFFAOYSA-N
XLogP3.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-Benzylamino-4-methyl-6-trifluoromethyl-1,3,5-triazine
CID 15857810
N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 200798
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 44393075
4-(Cyclohexylamino)-6-[(3-methylphenyl)methylamino]-1,3,5-triazine-2-carbonitrile
CID 134139713
4-(Cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
CID 134147121
4-[(3-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137637698
4-[(4-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137642284
4-[(2-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137651282
6-[(ethylthio)methyl]-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5303052
6-Benzyl-1,3,5-triazine-2,4-diamine
CID 15819
N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 117817088

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (CID 11023543) is 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LPLLQXLXIZDBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16/h5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.41 g/mol, XLogP of 3.48, 7 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-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11023543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).