3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine

C13H17N5O — CID 66209253

IUPAC3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC4CNCC4C3C)c12
InChIInChI=1S/C13H17N5O/c1-7-11-12(15-6-16-13(11)19-17-7)18-5-9-3-14-4-10(9)8(18)2/h6,8-10,14H,3-5H2,1-2H3
InChIKeyPQCGEZRSRGWXDI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.97
Rot. Bonds1

About 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 66209253) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID66209253
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC4CNCC4C3C)c12
InChIInChI=1S/C13H17N5O/c1-7-11-12(15-6-16-13(11)19-17-7)18-5-9-3-14-4-10(9)8(18)2/h6,8-10,14H,3-5H2,1-2H3
InChIKeyPQCGEZRSRGWXDI-UHFFFAOYSA-N
XLogP0.97
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 66209253) is 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CC4CNCC4C3C)c12.
What is the InChIKey of 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is PQCGEZRSRGWXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7-11-12(15-6-16-13(11)19-17-7)18-5-9-3-14-4-10(9)8(18)2/h6,8-10,14H,3-5H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 66209253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).