3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine

C7H11N3O — CID 139234578

IUPAC3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2c1CN(C)CN2
InChIInChI=1S/C7H11N3O/c1-5-6-3-10(2)4-8-7(6)11-9-5/h8H,3-4H2,1-2H3
InChIKeyOTAJYSVPVZSZAT-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.80
Rot. Bonds

About 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine

3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 139234578) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID139234578
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2c1CN(C)CN2
InChIInChI=1S/C7H11N3O/c1-5-6-3-10(2)4-8-7(6)11-9-5/h8H,3-4H2,1-2H3
InChIKeyOTAJYSVPVZSZAT-UHFFFAOYSA-N
XLogP0.80
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine (CID 139234578) is 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2c1CN(C)CN2.
What is the InChIKey of 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is OTAJYSVPVZSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-6-3-10(2)4-8-7(6)11-9-5/h8H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine?
3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 153.19 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 139234578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).