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

C12H15N5O — CID 63276758

IUPAC4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC[C@H]4CNC[C@H]43)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-3-2-8-4-13-5-9(8)17/h6,8-9,13H,2-5H2,1H3/t8-,9+/m0/s1
InChIKeySWPOKDVYXSXRQY-DTWKUNHWSA-N
MW245.29 g/mol
LogP0.72
Rot. Bonds1

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

4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 63276758) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID63276758
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CC[C@H]4CNC[C@H]43)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-3-2-8-4-13-5-9(8)17/h6,8-9,13H,2-5H2,1H3/t8-,9+/m0/s1
InChIKeySWPOKDVYXSXRQY-DTWKUNHWSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-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-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 63276758) is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CC[C@H]4CNC[C@H]43)c12.
What is the InChIKey of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is SWPOKDVYXSXRQY-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-10-11(14-6-15-12(10)18-16-7)17-3-2-8-4-13-5-9(8)17/h6,8-9,13H,2-5H2,1H3/t8-,9+/m0/s1.
What are the key properties of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 245.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63276758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).