[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

C25H32N8O3 — CID 146233875

IUPAC[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
SMILESCN1CCN(C(=O)c2ccc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)cn2)CC1
InChIInChI=1S/C25H32N8O3/c1-25(2)24-27-19-21(31-10-13-35-14-11-31)28-20(29-22(19)33(24)12-15-36-25)17-4-5-18(26-16-17)23(34)32-8-6-30(3)7-9-32/h4-5,16H,6-15H2,1-3H3
InChIKeyBKSKQYUZYGJWPX-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.38
Rot. Bonds3

About [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

[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 (PubChem CID 146233875) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID146233875
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name[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
SMILESCN1CCN(C(=O)c2ccc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)cn2)CC1
InChIInChI=1S/C25H32N8O3/c1-25(2)24-27-19-21(31-10-13-35-14-11-31)28-20(29-22(19)33(24)12-15-36-25)17-4-5-18(26-16-17)23(34)32-8-6-30(3)7-9-32/h4-5,16H,6-15H2,1-3H3
InChIKeyBKSKQYUZYGJWPX-UHFFFAOYSA-N
XLogP1.38
TPSA101.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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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
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
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]-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
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
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
N-[5-(6,7-dimethyl-4-morpholin-4-yl-6,7,9,10-tetrahydropurino[9,8-d][1,4]oxazepin-2-yl)-2-pyridinyl]acetamide
CID 146233694
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN1CCN(C(=O)c2ccc(-c3nc(N4CCOCC4)c4nc5n(c4n3)CCOC5(C)C)cn2)CC1.
What is the InChIKey of [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?
The InChIKey is BKSKQYUZYGJWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-25(2)24-27-19-21(31-10-13-35-14-11-31)28-20(29-22(19)33(24)12-15-36-25)17-4-5-18(26-16-17)23(34)32-8-6-30(3)7-9-32/h4-5,16H,6-15H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 492.58 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 146233875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).