3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C5H4N4O2 — CID 178200218

IUPAC3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESNc1noc2nc[nH]c(=O)c12
InChIInChI=1S/C5H4N4O2/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H2,6,9)(H,7,8,10)
InChIKeyDNVMKHFOMSKJQO-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.51
Rot. Bonds

About 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 178200218) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID178200218
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESNc1noc2nc[nH]c(=O)c12
InChIInChI=1S/C5H4N4O2/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H2,6,9)(H,7,8,10)
InChIKeyDNVMKHFOMSKJQO-UHFFFAOYSA-N
XLogP-0.51
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 178200218) is 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Nc1noc2nc[nH]c(=O)c12.
What is the InChIKey of 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DNVMKHFOMSKJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H2,6,9)(H,7,8,10).
What are the key properties of 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 152.11 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 178200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).