6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine

C17H15FN4O — CID 90159712

IUPAC6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1-c1nc(C)nc(N)c1-c1ccccn1
InChIInChI=1S/C17H15FN4O/c1-10-21-16(12-7-6-11(18)9-14(12)23-2)15(17(19)22-10)13-5-3-4-8-20-13/h3-9H,1-2H3,(H2,19,21,22)
InChIKeyJQEXITDMPMKVOQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.24
Rot. Bonds3

About 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine

6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine (PubChem CID 90159712) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
PubChem CID90159712
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cc(F)ccc1-c1nc(C)nc(N)c1-c1ccccn1
InChIInChI=1S/C17H15FN4O/c1-10-21-16(12-7-6-11(18)9-14(12)23-2)15(17(19)22-10)13-5-3-4-8-20-13/h3-9H,1-2H3,(H2,19,21,22)
InChIKeyJQEXITDMPMKVOQ-UHFFFAOYSA-N
XLogP3.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine (CID 90159712) is 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine is COc1cc(F)ccc1-c1nc(C)nc(N)c1-c1ccccn1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is JQEXITDMPMKVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-21-16(12-7-6-11(18)9-14(12)23-2)15(17(19)22-10)13-5-3-4-8-20-13/h3-9H,1-2H3,(H2,19,21,22).
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine?
6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 310.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 90159712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).