N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C11H11FN4O2 — CID 784146

IUPACN-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccccc2F)nc(OC)n1
InChIInChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyPBBNLDQFWDUXHA-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.77
Rot. Bonds4

About N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 784146) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID784146
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccccc2F)nc(OC)n1
InChIInChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,13,14,15,16)
InChIKeyPBBNLDQFWDUXHA-UHFFFAOYSA-N
XLogP1.77
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 784146) is N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccccc2F)nc(OC)n1.
What is the InChIKey of N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is PBBNLDQFWDUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,13,14,15,16).
What are the key properties of N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 250.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 784146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).