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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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).