5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine

C19H18FN3O2 — CID 163928051

IUPAC5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine
SMILESCOc1cc(-c2cc(Cc3cnc(C)nc3)cnc2OC)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-12-21-10-14(11-22-12)6-13-7-16(19(25-3)23-9-13)15-4-5-17(20)18(8-15)24-2/h4-5,7-11H,6H2,1-3H3
InChIKeyRGEXKJPBQZJWPD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.59
Rot. Bonds5

About 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine

5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine (PubChem CID 163928051) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine
PubChem CID163928051
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine
SMILESCOc1cc(-c2cc(Cc3cnc(C)nc3)cnc2OC)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-12-21-10-14(11-22-12)6-13-7-16(19(25-3)23-9-13)15-4-5-17(20)18(8-15)24-2/h4-5,7-11H,6H2,1-3H3
InChIKeyRGEXKJPBQZJWPD-UHFFFAOYSA-N
XLogP3.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]methanol
CID 131870314
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine
CID 174775405
1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
CID 69363207
3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
CID 53219460
5-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 91229568

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine?
The IUPAC name of 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine (CID 163928051) is 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine?
The canonical SMILES for 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine is COc1cc(-c2cc(Cc3cnc(C)nc3)cnc2OC)ccc1F.
What is the InChIKey of 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine?
The InChIKey is RGEXKJPBQZJWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-21-10-14(11-22-12)6-13-7-16(19(25-3)23-9-13)15-4-5-17(20)18(8-15)24-2/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine?
5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluoro-3-methoxyphenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine is sourced from PubChem (CID 163928051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).