3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C9H11N3O2 — CID 135979569

IUPAC3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCCc1nc2onc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-4-6-10-8(13)7-5(2)12-14-9(7)11-6/h3-4H2,1-2H3,(H,10,11,13)
InChIKeyWTPSONNRICCQOE-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.17
Rot. Bonds2

About 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 135979569) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID135979569
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCCCc1nc2onc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-4-6-10-8(13)7-5(2)12-14-9(7)11-6/h3-4H2,1-2H3,(H,10,11,13)
InChIKeyWTPSONNRICCQOE-UHFFFAOYSA-N
XLogP1.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 135979569) is 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is CCCc1nc2onc(C)c2c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WTPSONNRICCQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-4-6-10-8(13)7-5(2)12-14-9(7)11-6/h3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135979569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).