1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine

C23H31N7O2 — CID 122468945

IUPAC1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine
SMILESCC(C)NNc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1
InChIInChI=1S/C23H31N7O2/c1-15(2)27-28-17-7-5-16(6-8-17)19-25-20(29-9-12-31-13-10-29)18-21(26-19)30-11-14-32-23(3,4)22(30)24-18/h5-8,15,27-28H,9-14H2,1-4H3
InChIKeyXIOYYAZHQPGSMH-UHFFFAOYSA-N
MW437.55 g/mol
LogP2.92
Rot. Bonds5

About 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine

1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine (PubChem CID 122468945) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine
PubChem CID122468945
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine
SMILESCC(C)NNc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1
InChIInChI=1S/C23H31N7O2/c1-15(2)27-28-17-7-5-16(6-8-17)19-25-20(29-9-12-31-13-10-29)18-21(26-19)30-11-14-32-23(3,4)22(30)24-18/h5-8,15,27-28H,9-14H2,1-4H3
InChIKeyXIOYYAZHQPGSMH-UHFFFAOYSA-N
XLogP2.92
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-3-propan-2-ylurea
CID 57387417
6,6-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57387154
6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385868
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386137
N-[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-yl]acetamide
CID 57387875
2-(1-benzylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386140
[5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 146233875
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
CID 57384862
5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536100
5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
CID 122517558
5-[4-(2-azabicyclo[3.1.0]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-N-methylpyrimidin-2-amine
CID 167028550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine?
The IUPAC name of 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine (CID 122468945) is 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine.
What is the SMILES notation for 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine?
The canonical SMILES for 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine is CC(C)NNc1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1.
What is the InChIKey of 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine?
The InChIKey is XIOYYAZHQPGSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-15(2)27-28-17-7-5-16(6-8-17)19-25-20(29-9-12-31-13-10-29)18-21(26-19)30-11-14-32-23(3,4)22(30)24-18/h5-8,15,27-28H,9-14H2,1-4H3.
What are the key properties of 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine?
1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine has a molecular weight of 437.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)phenyl]-2-propan-2-ylhydrazine is sourced from PubChem (CID 122468945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).