2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine

C11H8Cl3N3O — CID 80862541

IUPAC2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H8Cl3N3O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyFELNIKUAXLHAQL-UHFFFAOYSA-N
MW304.56 g/mol
LogP4.12
Rot. Bonds2

About 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine

2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine (PubChem CID 80862541) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
PubChem CID80862541
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H8Cl3N3O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyFELNIKUAXLHAQL-UHFFFAOYSA-N
XLogP4.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine (CID 80862541) is 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine is Cc1nc(N)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine?
The InChIKey is FELNIKUAXLHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c1-5-16-10(15)4-11(17-5)18-9-3-7(13)6(12)2-8(9)14/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine?
2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine has a molecular weight of 304.56 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80862541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).