4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile

C16H16N4O2 — CID 921904

IUPAC4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H16N4O2/c1-12-10-15(22-14-4-2-13(11-17)3-5-14)19-16(18-12)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3
InChIKeyNFYMPMPIQGZZNA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.29
Rot. Bonds3

About 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile

4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 921904) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile
PubChem CID921904
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H16N4O2/c1-12-10-15(22-14-4-2-13(11-17)3-5-14)19-16(18-12)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3
InChIKeyNFYMPMPIQGZZNA-UHFFFAOYSA-N
XLogP2.29
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile (CID 921904) is 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile is Cc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is NFYMPMPIQGZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-10-15(22-14-4-2-13(11-17)3-5-14)19-16(18-12)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile?
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 921904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).