2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine

C21H23N7O2 — CID 57386903

IUPAC2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc12
InChIInChI=1S/C21H23N7O2/c1-21(2)20-23-16-18(27-6-9-29-10-7-27)24-17(25-19(16)28(20)8-11-30-21)13-4-3-5-15-14(13)12-22-26-15/h3-5,12H,6-11H2,1-2H3,(H,22,26)
InChIKeyMHWJONNVJSNGKY-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.47
Rot. Bonds2

About 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine

2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 57386903) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID57386903
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc12
InChIInChI=1S/C21H23N7O2/c1-21(2)20-23-16-18(27-6-9-29-10-7-27)24-17(25-19(16)28(20)8-11-30-21)13-4-3-5-15-14(13)12-22-26-15/h3-5,12H,6-11H2,1-2H3,(H,22,26)
InChIKeyMHWJONNVJSNGKY-UHFFFAOYSA-N
XLogP2.47
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 57386903) is 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc12.
What is the InChIKey of 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is MHWJONNVJSNGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-21(2)20-23-16-18(27-6-9-29-10-7-27)24-17(25-19(16)28(20)8-11-30-21)13-4-3-5-15-14(13)12-22-26-15/h3-5,12H,6-11H2,1-2H3,(H,22,26).
What are the key properties of 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 405.46 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 57386903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).