4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine

C11H6F5N3O — CID 45034134

IUPAC4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(N)n1
InChIInChI=1S/C11H6F5N3O/c1-20-4-2-3(18-11(17)19-4)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H2,17,18,19)
InChIKeyOXQYHGRKOOVXKS-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.43
Rot. Bonds2

About 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine

4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (PubChem CID 45034134) has the molecular formula C11H6F5N3O and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
PubChem CID45034134
Molecular FormulaC11H6F5N3O
Molecular Weight291.18 g/mol
Exact Mass291.04
IUPAC Name4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(N)n1
InChIInChI=1S/C11H6F5N3O/c1-20-4-2-3(18-11(17)19-4)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H2,17,18,19)
InChIKeyOXQYHGRKOOVXKS-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (CID 45034134) is 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is COc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(N)n1.
What is the InChIKey of 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The InChIKey is OXQYHGRKOOVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5N3O/c1-20-4-2-3(18-11(17)19-4)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H2,17,18,19).
What are the key properties of 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine has a molecular weight of 291.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 45034134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).