4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H14ClFN4O — CID 105396108

IUPAC4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-7(2)20-13-18-11(17-12(16-3)19-13)9-6-8(15)4-5-10(9)14/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyJRQLOTBQYFWFOK-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.16
Rot. Bonds4

About 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 105396108) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID105396108
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H14ClFN4O/c1-7(2)20-13-18-11(17-12(16-3)19-13)9-6-8(15)4-5-10(9)14/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyJRQLOTBQYFWFOK-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 105396108) is 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JRQLOTBQYFWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-7(2)20-13-18-11(17-12(16-3)19-13)9-6-8(15)4-5-10(9)14/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 296.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).