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

C18H23N7O2 — CID 57385868

IUPAC6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1
InChIInChI=1S/C18H23N7O2/c1-18(2)17-20-13-15(24-4-7-26-8-5-24)21-14(12-10-19-23(3)11-12)22-16(13)25(17)6-9-27-18/h10-11H,4-9H2,1-3H3
InChIKeyNWYIREHGCDTDIQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.33
Rot. Bonds2

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

6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 57385868) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID57385868
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1
InChIInChI=1S/C18H23N7O2/c1-18(2)17-20-13-15(24-4-7-26-8-5-24)21-14(12-10-19-23(3)11-12)22-16(13)25(17)6-9-27-18/h10-11H,4-9H2,1-3H3
InChIKeyNWYIREHGCDTDIQ-UHFFFAOYSA-N
XLogP1.33
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzylpyrazol-4-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386140
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
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-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57386137
[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-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
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
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
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-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
CID 122517558
5-[4-(6,6-difluoro-3-azabicyclo[3.2.0]heptan-3-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536071

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 57385868) is 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is Cn1cc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cn1.
What is the InChIKey of 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is NWYIREHGCDTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-18(2)17-20-13-15(24-4-7-26-8-5-24)21-14(12-10-19-23(3)11-12)22-16(13)25(17)6-9-27-18/h10-11H,4-9H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine?
6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 369.43 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 57385868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).