6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine

C11H20FN5 — CID 18769890

IUPAC6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C11H20FN5/c1-4-6-8(5-2)14-11-16-9(7(3)12)15-10(13)17-11/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyKUZZFTYXEKNGHQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.47
Rot. Bonds6

About 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18769890) has the molecular formula C11H20FN5 and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID18769890
Molecular FormulaC11H20FN5
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C11H20FN5/c1-4-6-8(5-2)14-11-16-9(7(3)12)15-10(13)17-11/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyKUZZFTYXEKNGHQ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(1-fluoroethyl)-2-N-hexan-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
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-6-propyl-
CID 199905
N-Cyclohexyl-6-(cyclohexylimino)-4-methyl-1,6-dihydro-1,3,5-triazin-2-amine
CID 213566
N~2~,N~4~-Dicyclohexyl-6-propyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 213571
1,3,5-Triazin-2-amine, 4-chloro-6-ethyl-N-(1-methylethyl)-
CID 3044737
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
s-Triazine, 4,6-bis(cyclohexylamino)-2-butyl-
CID 213567
s-Triazine, 2,4-bis(cyclohexylamino)-6-ethyl-
CID 213570

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine (CID 18769890) is 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine is CCCC(CC)Nc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KUZZFTYXEKNGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5/c1-4-6-8(5-2)14-11-16-9(7(3)12)15-10(13)17-11/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.31 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).