2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C13H15N7O2 — CID 86285719

IUPAC2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2c(N3CCC4(CC3)N=C(N)NC4=O)ncnc2o1
InChIInChI=1S/C13H15N7O2/c1-7-17-8-9(15-6-16-10(8)22-7)20-4-2-13(3-5-20)11(21)18-12(14)19-13/h6H,2-5H2,1H3,(H3,14,18,19,21)
InChIKeyYZLJEMULXRNNBC-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.29
Rot. Bonds1

About 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 86285719) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID86285719
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2c(N3CCC4(CC3)N=C(N)NC4=O)ncnc2o1
InChIInChI=1S/C13H15N7O2/c1-7-17-8-9(15-6-16-10(8)22-7)20-4-2-13(3-5-20)11(21)18-12(14)19-13/h6H,2-5H2,1H3,(H3,14,18,19,21)
InChIKeyYZLJEMULXRNNBC-UHFFFAOYSA-N
XLogP-0.29
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 86285719) is 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1nc2c(N3CCC4(CC3)N=C(N)NC4=O)ncnc2o1.
What is the InChIKey of 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YZLJEMULXRNNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-7-17-8-9(15-6-16-10(8)22-7)20-4-2-13(3-5-20)11(21)18-12(14)19-13/h6H,2-5H2,1H3,(H3,14,18,19,21).
What are the key properties of 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 301.31 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 86285719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).