6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine

C8H9N3O — CID 130232018

IUPAC6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2cnoc2n1
InChIInChI=1S/C8H9N3O/c1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-5H,1-2H3
InChIKeyVMLVRGACHWOIGV-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.74
Rot. Bonds1

About 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine

6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 130232018) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID130232018
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2cnoc2n1
InChIInChI=1S/C8H9N3O/c1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-5H,1-2H3
InChIKeyVMLVRGACHWOIGV-UHFFFAOYSA-N
XLogP1.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylfuro[2,3-d]pyrimidine
CID 122697290
4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
CID 130335993
5,6-di(propan-2-yl)-[1,2]oxazolo[4,5-b]pyrazine
CID 129014323
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
6-methyl-2-propan-2-ylfuro[3,2-d]pyrimidine
CID 165165025
2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 171735434
2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 54126427
5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
2-propan-2-ylpyrimidine-5-thiol
CID 149236616
4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
CID 139475198
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
4,5-dimethoxy-2-propan-2-ylpyrimidine
CID 21247454

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine (CID 130232018) is 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine is CC(C)c1ncc2cnoc2n1.
What is the InChIKey of 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is VMLVRGACHWOIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5(2)7-9-3-6-4-10-12-8(6)11-7/h3-5H,1-2H3.
What are the key properties of 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 163.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 130232018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).