4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile

C21H16N4O2 — CID 90142202

IUPAC4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc(Oc2nccc3occ(C#N)c23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C21H16N4O2/c1-12-8-16(4-5-17(12)19-13(2)24-11-25-14(19)3)27-21-20-15(9-22)10-26-18(20)6-7-23-21/h4-8,10-11H,1-3H3
InChIKeyKUTAEKPFUOBNAD-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.87
Rot. Bonds3

About 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile (PubChem CID 90142202) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
PubChem CID90142202
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc(Oc2nccc3occ(C#N)c23)ccc1-c1c(C)ncnc1C
InChIInChI=1S/C21H16N4O2/c1-12-8-16(4-5-17(12)19-13(2)24-11-25-14(19)3)27-21-20-15(9-22)10-26-18(20)6-7-23-21/h4-8,10-11H,1-3H3
InChIKeyKUTAEKPFUOBNAD-UHFFFAOYSA-N
XLogP4.87
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
CID 118468690
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
2-(4,6-dimethylpyrimidin-5-yl)-5-[(2-methylpropan-2-yl)oxy]benzonitrile
CID 90147908
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methyl-1H-pyrazin-2-one
CID 130442523
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
CID 118488441
2-benzo[e][1]benzofuran-1-yl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428429
2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile
CID 130442543
2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile
CID 118467521
1,5-dimethyl-6-[2-methyl-4-[(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)oxy]phenyl]pyrazin-2-one
CID 118478132

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile (CID 90142202) is 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile is Cc1cc(Oc2nccc3occ(C#N)c23)ccc1-c1c(C)ncnc1C.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is KUTAEKPFUOBNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-12-8-16(4-5-17(12)19-13(2)24-11-25-14(19)3)27-21-20-15(9-22)10-26-18(20)6-7-23-21/h4-8,10-11H,1-3H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile?
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 90142202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).