8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one

C14H20N4O5 — CID 14638279

IUPAC8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(N2CCOCC2)c2c(n1)N(CC(O)CO)C(=O)CO2
InChIInChI=1S/C14H20N4O5/c1-9-15-13(17-2-4-22-5-3-17)12-14(16-9)18(6-10(20)7-19)11(21)8-23-12/h10,19-20H,2-8H2,1H3
InChIKeyKDLQZLBGOBRVSK-UHFFFAOYSA-N
MW324.34 g/mol
LogP-1.30
Rot. Bonds4

About 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one

8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 14638279) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID14638279
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Name8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(N2CCOCC2)c2c(n1)N(CC(O)CO)C(=O)CO2
InChIInChI=1S/C14H20N4O5/c1-9-15-13(17-2-4-22-5-3-17)12-14(16-9)18(6-10(20)7-19)11(21)8-23-12/h10,19-20H,2-8H2,1H3
InChIKeyKDLQZLBGOBRVSK-UHFFFAOYSA-N
XLogP-1.30
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one (CID 14638279) is 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one is Cc1nc(N2CCOCC2)c2c(n1)N(CC(O)CO)C(=O)CO2.
What is the InChIKey of 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is KDLQZLBGOBRVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-9-15-13(17-2-4-22-5-3-17)12-14(16-9)18(6-10(20)7-19)11(21)8-23-12/h10,19-20H,2-8H2,1H3.
What are the key properties of 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one?
8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 324.34 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxypropyl)-2-methyl-4-morpholin-4-ylpyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 14638279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).