6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C10H8Cl2FN5 — CID 166163801

IUPAC6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccc(F)c2Cl)n1
InChIInChI=1S/C10H8Cl2FN5/c11-7-5(2-1-3-6(7)13)4-15-10-17-8(12)16-9(14)18-10/h1-3H,4H2,(H3,14,15,16,17,18)
InChIKeyLNMGUOALLBZPNC-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 166163801) has the molecular formula C10H8Cl2FN5 and a molecular weight of 288.11 g/mol. Its IUPAC name is 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID166163801
Molecular FormulaC10H8Cl2FN5
Molecular Weight288.11 g/mol
Exact Mass287.01
IUPAC Name6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccc(F)c2Cl)n1
InChIInChI=1S/C10H8Cl2FN5/c11-7-5(2-1-3-6(7)13)4-15-10-17-8(12)16-9(14)18-10/h1-3H,4H2,(H3,14,15,16,17,18)
InChIKeyLNMGUOALLBZPNC-UHFFFAOYSA-N
XLogP2.51
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 166163801) is 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NCc2cccc(F)c2Cl)n1.
What is the InChIKey of 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LNMGUOALLBZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN5/c11-7-5(2-1-3-6(7)13)4-15-10-17-8(12)16-9(14)18-10/h1-3H,4H2,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 288.11 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166163801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).