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

C13H24FN5 — CID 139833185

IUPAC6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CC(C)C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C13H24FN5/c1-6-9(7-8(2)3)16-12-18-10(13(4,5)14)17-11(15)19-12/h8-9H,6-7H2,1-5H3,(H3,15,16,17,18,19)
InChIKeyKKJIQNVZNGBHAI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.89
Rot. Bonds6

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

6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 139833185) has the molecular formula C13H24FN5 and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID139833185
Molecular FormulaC13H24FN5
Molecular Weight269.37 g/mol
Exact Mass269.20
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(CC(C)C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C13H24FN5/c1-6-9(7-8(2)3)16-12-18-10(13(4,5)14)17-11(15)19-12/h8-9H,6-7H2,1-5H3,(H3,15,16,17,18,19)
InChIKeyKKJIQNVZNGBHAI-UHFFFAOYSA-N
XLogP2.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
s-Triazine, 2-amino-4-(cyclohexylamino)-6-isopropyl-
CID 207482
6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 44370889
2-N-(1-cyclohexylethyl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15477544
2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 15477558
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-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 18769876
6-(2-fluoropropan-2-yl)-2-N-pentan-2-yl-1,3,5-triazine-2,4-diamine
CID 18769877
6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
CID 18769881
6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769884
6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769890

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine (CID 139833185) is 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine is CCC(CC(C)C)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KKJIQNVZNGBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN5/c1-6-9(7-8(2)3)16-12-18-10(13(4,5)14)17-11(15)19-12/h8-9H,6-7H2,1-5H3,(H3,15,16,17,18,19).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.37 g/mol, XLogP of 2.89, 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-(5-methylhexan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).