8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C21H26N4O3 — CID 134293487

IUPAC8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCOCCN1CCOc2c(C(C)C)nc(-c3cc(OC)cc4[nH]ccc34)nc21
InChIInChI=1S/C21H26N4O3/c1-13(2)18-19-21(25(7-9-26-3)8-10-28-19)24-20(23-18)16-11-14(27-4)12-17-15(16)5-6-22-17/h5-6,11-13,22H,7-10H2,1-4H3
InChIKeyKMNWJCJVODJUIK-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.60
Rot. Bonds6

About 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 134293487) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID134293487
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCOCCN1CCOc2c(C(C)C)nc(-c3cc(OC)cc4[nH]ccc34)nc21
InChIInChI=1S/C21H26N4O3/c1-13(2)18-19-21(25(7-9-26-3)8-10-28-19)24-20(23-18)16-11-14(27-4)12-17-15(16)5-6-22-17/h5-6,11-13,22H,7-10H2,1-4H3
InChIKeyKMNWJCJVODJUIK-UHFFFAOYSA-N
XLogP3.60
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 134293487) is 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is COCCN1CCOc2c(C(C)C)nc(-c3cc(OC)cc4[nH]ccc34)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is KMNWJCJVODJUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)18-19-21(25(7-9-26-3)8-10-28-19)24-20(23-18)16-11-14(27-4)12-17-15(16)5-6-22-17/h5-6,11-13,22H,7-10H2,1-4H3.
What are the key properties of 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 382.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 134293487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).