4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C19H18FN3O3 — CID 75359820

IUPAC4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O3/c1-24-16-8-12(9-17(25-2)18(16)26-3)15-10-14(22-19(21)23-15)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22,23)
InChIKeyFQMJWSOFFQQFQC-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 75359820) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID75359820
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O3/c1-24-16-8-12(9-17(25-2)18(16)26-3)15-10-14(22-19(21)23-15)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22,23)
InChIKeyFQMJWSOFFQQFQC-UHFFFAOYSA-N
XLogP3.56
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 75359820) is 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc(OC)c1OC.
What is the InChIKey of 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is FQMJWSOFFQQFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-24-16-8-12(9-17(25-2)18(16)26-3)15-10-14(22-19(21)23-15)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 355.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).