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

C12H15N5O — CID 66211455

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC4CNCC4C3)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-4-8-2-13-3-9(8)5-17/h6,8-9,13H,2-5H2,1H3
InChIKeySTTQFOZBHSDSIY-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.58
Rot. Bonds1

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

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 66211455) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID66211455
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC4CNCC4C3)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-4-8-2-13-3-9(8)5-17/h6,8-9,13H,2-5H2,1H3
InChIKeySTTQFOZBHSDSIY-UHFFFAOYSA-N
XLogP0.58
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 66211455) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CC4CNCC4C3)c12.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is STTQFOZBHSDSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-4-8-2-13-3-9(8)5-17/h6,8-9,13H,2-5H2,1H3.
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 245.29 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 66211455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).