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

C13H24FN5 — CID 18769884

IUPAC6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CC)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C13H24FN5/c1-5-7-8-9(6-2)16-12-18-10(13(3,4)14)17-11(15)19-12/h9H,5-8H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyZELOBQPHLAGDGJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.04
Rot. Bonds7

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

6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18769884) 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-heptan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID18769884
Molecular FormulaC13H24FN5
Molecular Weight269.37 g/mol
Exact Mass269.20
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CC)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C13H24FN5/c1-5-7-8-9(6-2)16-12-18-10(13(3,4)14)17-11(15)19-12/h9H,5-8H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyZELOBQPHLAGDGJ-UHFFFAOYSA-N
XLogP3.04
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-
CID 120801
N~2~,N~4~-Dicyclohexyl-6-propyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 213571
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
s-Triazine, 2-amino-4-(cyclohexylamino)-6-isopropyl-
CID 207482
s-Triazine, 2,4-bis(cyclohexylamino)-6-ethyl-
CID 213570
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-cyclohexyl-4-methyl-6-(trifluoromethyl)-
CID 3041969
2-[5-Diethylamino-2-pentylamino]-4,6-bis[perfluoropropyl]-1,3,5-triazine sulfamate
CID 559484
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine (CID 18769884) is 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine is CCCCC(CC)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZELOBQPHLAGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN5/c1-5-7-8-9(6-2)16-12-18-10(13(3,4)14)17-11(15)19-12/h9H,5-8H2,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.37 g/mol, XLogP of 3.04, 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-heptan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).