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

C24H32N8O2 — CID 57386137

IUPAC6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCN1CCN(c2cc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)ccn2)CC1
InChIInChI=1S/C24H32N8O2/c1-24(2)23-26-19-21(31-10-13-33-14-11-31)27-20(28-22(19)32(23)12-15-34-24)17-4-5-25-18(16-17)30-8-6-29(3)7-9-30/h4-5,16H,6-15H2,1-3H3
InChIKeyNBKJOXNAYIVEAO-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.74
Rot. Bonds3

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

6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 57386137) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID57386137
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCN1CCN(c2cc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)ccn2)CC1
InChIInChI=1S/C24H32N8O2/c1-24(2)23-26-19-21(31-10-13-33-14-11-31)27-20(28-22(19)32(23)12-15-34-24)17-4-5-25-18(16-17)30-8-6-29(3)7-9-30/h4-5,16H,6-15H2,1-3H3
InChIKeyNBKJOXNAYIVEAO-UHFFFAOYSA-N
XLogP1.74
TPSA84.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine with MolForge

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Launch Full Analysis

Related Compounds

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
[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
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
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
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
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
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
2-(1-benzylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386140
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
1-[6,6-dimethyl-2-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidine-3-carbonitrile
CID 140828553

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 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) is 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is CN1CCN(c2cc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)ccn2)CC1.
What is the InChIKey of 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is NBKJOXNAYIVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-24(2)23-26-19-21(31-10-13-33-14-11-31)27-20(28-22(19)32(23)12-15-34-24)17-4-5-25-18(16-17)30-8-6-29(3)7-9-30/h4-5,16H,6-15H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 464.57 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 57386137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).