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

C11H20FN5 — CID 70187892

IUPAC6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C11H20FN5/c1-4-5-6-7-14-10-16-8(11(2,3)12)15-9(13)17-10/h4-7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyHXFSJBDBMMCIHS-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds6

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

6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine (PubChem CID 70187892) has the molecular formula C11H20FN5 and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine
PubChem CID70187892
Molecular FormulaC11H20FN5
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C11H20FN5/c1-4-5-6-7-14-10-16-8(11(2,3)12)15-9(13)17-10/h4-7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyHXFSJBDBMMCIHS-UHFFFAOYSA-N
XLogP2.26
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-fluoropropan-2-yl)-2-N-pentyl-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
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
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
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379
4-ethylamino-6-isopropyl amino S-triazine
CID 130532627
2-[5-Diethylamino-2-pentylamino]-4,6-bis[perfluoropropyl]-1,3,5-triazine sulfamate
CID 559484
2-Amino-4-(butylamino)-6-(trifluoromethyl)-1,3,5-triazine
CID 606072
2-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine (CID 70187892) is 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine is CCCCCNc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HXFSJBDBMMCIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5/c1-4-5-6-7-14-10-16-8(11(2,3)12)15-9(13)17-10/h4-7H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.31 g/mol, XLogP of 2.26, 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-pentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).