8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine

C21H18N4O — CID 118468690

IUPAC8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
SMILESCc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C21H18N4O/c1-13-11-17(6-7-18(13)19-14(2)24-12-25-15(19)3)26-21-20-16(8-10-23-21)5-4-9-22-20/h4-12H,1-3H3
InChIKeyXBHSHJCLCQZKOI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.80
Rot. Bonds3

About 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine

8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine (PubChem CID 118468690) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine.

Molecular Properties

Compound Name8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
PubChem CID118468690
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
SMILESCc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C21H18N4O/c1-13-11-17(6-7-18(13)19-14(2)24-12-25-15(19)3)26-21-20-16(8-10-23-21)5-4-9-22-20/h4-12H,1-3H3
InChIKeyXBHSHJCLCQZKOI-UHFFFAOYSA-N
XLogP4.80
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
CID 90142202
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838
4-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 86764213
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
4-(3,4-dimethylphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154336
4-[3-chloro-4-(4,6-dimethylpyrimidin-5-yl)phenoxy]thieno[3,2-c]pyridine
CID 118470777
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
CID 118488441
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine?
The IUPAC name of 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine (CID 118468690) is 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine.
What is the SMILES notation for 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine?
The canonical SMILES for 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine is Cc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)ncnc1C.
What is the InChIKey of 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine?
The InChIKey is XBHSHJCLCQZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13-11-17(6-7-18(13)19-14(2)24-12-25-15(19)3)26-21-20-16(8-10-23-21)5-4-9-22-20/h4-12H,1-3H3.
What are the key properties of 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine?
8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine has a molecular weight of 342.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine is sourced from PubChem (CID 118468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).