4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

C20H22F2N6 — CID 25102180

IUPAC4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H22F2N6/c21-15-7-4-6-14(12-15)18-26-19(24-11-3-1-2-10-23)28-20(27-18)25-17-9-5-8-16(22)13-17/h4-9,12-13H,1-3,10-11,23H2,(H2,24,25,26,27,28)
InChIKeyNJKACHMBWJJYDA-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.10
Rot. Bonds9

About 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine

4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 25102180) has the molecular formula C20H22F2N6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID25102180
Molecular FormulaC20H22F2N6
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H22F2N6/c21-15-7-4-6-14(12-15)18-26-19(24-11-3-1-2-10-23)28-20(27-18)25-17-9-5-8-16(22)13-17/h4-9,12-13H,1-3,10-11,23H2,(H2,24,25,26,27,28)
InChIKeyNJKACHMBWJJYDA-UHFFFAOYSA-N
XLogP4.10
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 25102180) is 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NJKACHMBWJJYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6/c21-15-7-4-6-14(12-15)18-26-19(24-11-3-1-2-10-23)28-20(27-18)25-17-9-5-8-16(22)13-17/h4-9,12-13H,1-3,10-11,23H2,(H2,24,25,26,27,28).
What are the key properties of 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine?
4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 384.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25102180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).