(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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Related Compounds

4-(2,5-dimethylmorpholin-4-yl)-N-methylquinazolin-2-amine
CID 80787211
[4-(2,5-dimethylmorpholin-4-yl)quinazolin-2-yl]hydrazine
CID 80906218
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690
4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
CID 80775981
4-(2,5-dimethylmorpholin-4-yl)quinoline-3-carbothioamide
CID 43669671
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
CID 95580716
2-methyl-1-quinazolin-4-ylpiperidin-4-amine
CID 66801029
2-(2,5-dimethylmorpholin-4-yl)quinoline-3-carboxylic acid
CID 43544765
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
CID 34060766
4-(2,5-dimethylmorpholin-4-yl)quinolin-8-amine
CID 83060956

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).