3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

C11H15N3O3 — CID 67989890

IUPAC3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)c2c(C(C)(C)C)onc2n(C)c1=O
InChIInChI=1S/C11H15N3O3/c1-11(2,3)7-6-8(12-17-7)13(4)10(16)14(5)9(6)15/h1-5H3
InChIKeyWOQNNUUOMFFYNC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds

About 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione

3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 67989890) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID67989890
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)c2c(C(C)(C)C)onc2n(C)c1=O
InChIInChI=1S/C11H15N3O3/c1-11(2,3)7-6-8(12-17-7)13(4)10(16)14(5)9(6)15/h1-5H3
InChIKeyWOQNNUUOMFFYNC-UHFFFAOYSA-N
XLogP0.52
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidine-5-thiolate
CID 2393534
3-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
CID 2729169
7-tert-butyl-5-ethylsulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 24527264
6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 15141673
7-tert-butyl-2,4-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16812949
7-tert-butyl-5-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16544494
1,3-dimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845554
5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119
7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10538050
4-(butylamino)-2,6,8-trimethylpyrimido[4,5-c]pyridazine-3,5,7-trione
CID 101457516
1,3,7-trimethylpurine-2,6-dione
CID 131953138
5-tert-butyl-1,3-dimethylimidazo[4,5-b]pyridin-2-one
CID 138655254

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione (CID 67989890) is 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is Cn1c(=O)c2c(C(C)(C)C)onc2n(C)c1=O.
What is the InChIKey of 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is WOQNNUUOMFFYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,3)7-6-8(12-17-7)13(4)10(16)14(5)9(6)15/h1-5H3.
What are the key properties of 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione?
3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 237.26 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 67989890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).