4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine

C16H22N4O — CID 80775981

IUPAC4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
SMILESCCNc1nc(N2CC(C)OCC2C)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-4-17-16-18-14-8-6-5-7-13(14)15(19-16)20-9-12(3)21-10-11(20)2/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyDQUVHLJVYDKQAU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine

4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine (PubChem CID 80775981) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
PubChem CID80775981
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
SMILESCCNc1nc(N2CC(C)OCC2C)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-4-17-16-18-14-8-6-5-7-13(14)15(19-16)20-9-12(3)21-10-11(20)2/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyDQUVHLJVYDKQAU-UHFFFAOYSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine?
The IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine (CID 80775981) is 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine?
The canonical SMILES for 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine is CCNc1nc(N2CC(C)OCC2C)c2ccccc2n1.
What is the InChIKey of 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine?
The InChIKey is DQUVHLJVYDKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-17-16-18-14-8-6-5-7-13(14)15(19-16)20-9-12(3)21-10-11(20)2/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine?
4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine is sourced from PubChem (CID 80775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).