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

C10H13N3O — CID 130335993

IUPAC4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc(C(C)C)nc2oncc12
InChIInChI=1S/C10H13N3O/c1-4-8-7-5-11-14-10(7)13-9(12-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyNECCLIZEUKSGLM-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds2

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

4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 130335993) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID130335993
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCc1nc(C(C)C)nc2oncc12
InChIInChI=1S/C10H13N3O/c1-4-8-7-5-11-14-10(7)13-9(12-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyNECCLIZEUKSGLM-UHFFFAOYSA-N
XLogP2.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine (CID 130335993) is 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine is CCc1nc(C(C)C)nc2oncc12.
What is the InChIKey of 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is NECCLIZEUKSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-7-5-11-14-10(7)13-9(12-8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine?
4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 191.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 130335993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).