5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine

C19H24N8O — CID 122517558

IUPAC5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
SMILESCC1(C)OCCCn2c1nc1c(N3CCCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C19H24N8O/c1-19(2)17-23-13-15(26-6-3-4-7-26)24-14(12-10-21-18(20)22-11-12)25-16(13)27(17)8-5-9-28-19/h10-11H,3-9H2,1-2H3,(H2,20,21,22)
InChIKeyRIOSMGANDPKDFH-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.12
Rot. Bonds2

About 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine

5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine (PubChem CID 122517558) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
PubChem CID122517558
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine
SMILESCC1(C)OCCCn2c1nc1c(N3CCCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C19H24N8O/c1-19(2)17-23-13-15(26-6-3-4-7-26)24-14(12-10-21-18(20)22-11-12)25-16(13)27(17)8-5-9-28-19/h10-11H,3-9H2,1-2H3,(H2,20,21,22)
InChIKeyRIOSMGANDPKDFH-UHFFFAOYSA-N
XLogP2.12
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine with MolForge

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Related Compounds

5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl]pyrimidin-2-amine
CID 122517564
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-[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
5-[(6R)-4,6-dicyclopropyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine;5-[4-[(5R)-5-fluoro-2-azabicyclo[2.2.1]heptan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 159360243
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-(2-azabicyclo[3.1.0]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122536061
5-[4-[(5S)-5-fluoro-2-azabicyclo[2.2.1]heptan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 122517644
5-[4-[(3aS,6aS)-4-ethyl-4-fluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 167028507
5-[4-(6-azatricyclo[3.2.2.02,4]nonan-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 167028470
5-[4-(2-ethyl-4-fluoro-5-methylpiperidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 167028510
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-(2-aminopyrimidin-5-yl)-N-cyclopropyl-N-ethyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
CID 122536010

Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine?
The IUPAC name of 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) is 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine is CC1(C)OCCCn2c1nc1c(N3CCCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine?
The InChIKey is RIOSMGANDPKDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-19(2)17-23-13-15(26-6-3-4-7-26)24-14(12-10-21-18(20)22-11-12)25-16(13)27(17)8-5-9-28-19/h10-11H,3-9H2,1-2H3,(H2,20,21,22).
What are the key properties of 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine?
5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-4-pyrrolidin-1-yl-9,10-dihydro-8H-purino[8,9-c][1,4]oxazepin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 122517558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).