(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine

C14H17N3O — CID 51672171

IUPAC(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine
SMILESC[C@@H]1CN(c2ncnc3ccccc23)[C@H](C)CO1
InChIInChI=1S/C14H17N3O/c1-10-8-18-11(2)7-17(10)14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyAWSDCGJYXVSDQE-GHMZBOCLSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds1

About (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine

(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine (PubChem CID 51672171) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine
PubChem CID51672171
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine
SMILESC[C@@H]1CN(c2ncnc3ccccc23)[C@H](C)CO1
InChIInChI=1S/C14H17N3O/c1-10-8-18-11(2)7-17(10)14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyAWSDCGJYXVSDQE-GHMZBOCLSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine?
The IUPAC name of (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine (CID 51672171) is (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine?
The canonical SMILES for (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine is C[C@@H]1CN(c2ncnc3ccccc23)[C@H](C)CO1.
What is the InChIKey of (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine?
The InChIKey is AWSDCGJYXVSDQE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-18-11(2)7-17(10)14-12-5-3-4-6-13(12)15-9-16-14/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine?
(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine has a molecular weight of 243.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine is sourced from PubChem (CID 51672171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).