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

C17H24FN5 — CID 20682197

IUPAC6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cc1ccccc1)C(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-11(10-13-8-6-5-7-9-13)12(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-9,11-12H,10H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyDMAVQNHTBDJXEP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.34
Rot. Bonds6

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

6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 20682197) 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-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID20682197
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cc1ccccc1)C(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-11(10-13-8-6-5-7-9-13)12(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-9,11-12H,10H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyDMAVQNHTBDJXEP-UHFFFAOYSA-N
XLogP3.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 12009823
6-(2-fluoropropan-2-yl)-2-N-(4-pyridin-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682190
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769869
6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 10859400
2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 70248924
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
[2,6-diamino-4-(1-phenylpropan-2-ylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate
CID 70569817
2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-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
CID 160712680
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 20682197) is 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Cc1ccccc1)C(C)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DMAVQNHTBDJXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-11(10-13-8-6-5-7-9-13)12(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-9,11-12H,10H2,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.41 g/mol, XLogP of 3.34, 6 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-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20682197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).