4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine

C13H13FN2O2 — CID 116896805

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-8-6-11(16-13(15-8)18-3)9-4-5-12(17-2)10(14)7-9/h4-7H,1-3H3
InChIKeyOASKFYGMWUSPBL-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.61
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine

4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine (PubChem CID 116896805) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
PubChem CID116896805
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-8-6-11(16-13(15-8)18-3)9-4-5-12(17-2)10(14)7-9/h4-7H,1-3H3
InChIKeyOASKFYGMWUSPBL-UHFFFAOYSA-N
XLogP2.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
4-(2-methoxy-6-methylpyrimidin-4-yl)benzaldehyde
CID 105485419
1-chloro-3-(3-fluoro-4-methoxyphenyl)-6-methoxyisoquinoline
CID 86683187
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-(3-fluoro-4-methoxyphenyl)-1,3,4-trimethylpyrazolo[5,4-b]pyridine
CID 169421254
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine (CID 116896805) is 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine is COc1nc(C)cc(-c2ccc(OC)c(F)c2)n1.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine?
The InChIKey is OASKFYGMWUSPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-6-11(16-13(15-8)18-3)9-4-5-12(17-2)10(14)7-9/h4-7H,1-3H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine?
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine has a molecular weight of 248.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine is sourced from PubChem (CID 116896805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).