5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile

C15H16N4O — CID 129240771

IUPAC5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncncc23)C[C@H](C)O1
InChIInChI=1S/C15H16N4O/c1-10-7-19(8-11(2)20-10)14-4-3-12(5-16)15-13(14)6-17-9-18-15/h3-4,6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyRKERLAZKCFZYLE-PHIMTYICSA-N
MW268.32 g/mol
LogP2.12
Rot. Bonds1

About 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile

5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile (PubChem CID 129240771) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
PubChem CID129240771
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncncc23)C[C@H](C)O1
InChIInChI=1S/C15H16N4O/c1-10-7-19(8-11(2)20-10)14-4-3-12(5-16)15-13(14)6-17-9-18-15/h3-4,6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyRKERLAZKCFZYLE-PHIMTYICSA-N
XLogP2.12
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile (CID 129240771) is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncncc23)C[C@H](C)O1.
What is the InChIKey of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile?
The InChIKey is RKERLAZKCFZYLE-PHIMTYICSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-19(8-11(2)20-10)14-4-3-12(5-16)15-13(14)6-17-9-18-15/h3-4,6,9-11H,7-8H2,1-2H3/t10-,11+.
What are the key properties of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile?
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile is sourced from PubChem (CID 129240771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).