5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

C19H24N8O — CID 122536100

IUPAC5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)CN(c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)C1
InChIInChI=1S/C19H24N8O/c1-18(2)9-26(10-18)14-12-15(27-5-6-28-19(3,4)16(27)23-12)25-13(24-14)11-7-21-17(20)22-8-11/h7-8H,5-6,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyVEYBXUOVXOWHLM-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.98
Rot. Bonds2

About 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (PubChem CID 122536100) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
PubChem CID122536100
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCC1(C)CN(c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)C1
InChIInChI=1S/C19H24N8O/c1-18(2)9-26(10-18)14-12-15(27-5-6-28-19(3,4)16(27)23-12)25-13(24-14)11-7-21-17(20)22-8-11/h7-8H,5-6,9-10H2,1-4H3,(H2,20,21,22)
InChIKeyVEYBXUOVXOWHLM-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 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) is 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is CC1(C)CN(c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)C1.
What is the InChIKey of 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The InChIKey is VEYBXUOVXOWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-18(2)9-26(10-18)14-12-15(27-5-6-28-19(3,4)16(27)23-12)25-13(24-14)11-7-21-17(20)22-8-11/h7-8H,5-6,9-10H2,1-4H3,(H2,20,21,22).
What are the key properties of 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-dimethylazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122536100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).