3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine

C10H12N4O — CID 3454517

IUPAC3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCC3)c12
InChIInChI=1S/C10H12N4O/c1-7-8-9(14-4-2-3-5-14)11-6-12-10(8)15-13-7/h6H,2-5H2,1H3
InChIKeyVGEPUPBORSZCCA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.53
Rot. Bonds1

About 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 3454517) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID3454517
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCC3)c12
InChIInChI=1S/C10H12N4O/c1-7-8-9(14-4-2-3-5-14)11-6-12-10(8)15-13-7/h6H,2-5H2,1H3
InChIKeyVGEPUPBORSZCCA-UHFFFAOYSA-N
XLogP1.53
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine (CID 3454517) is 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCCC3)c12.
What is the InChIKey of 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is VGEPUPBORSZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8-9(14-4-2-3-5-14)11-6-12-10(8)15-13-7/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 204.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3454517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).