[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

C17H19N5O3 — CID 97423213

IUPAC[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESCc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2cnccn2)C3)n1
InChIInChI=1S/C17H19N5O3/c1-12-2-3-20-16(21-12)25-11-17-9-22(7-13(17)8-24-10-17)15(23)14-6-18-4-5-19-14/h2-6,13H,7-11H2,1H3/t13-,17+/m1/s1
InChIKeyCSBXNRPIFBEPRE-DYVFJYSZSA-N
MW341.37 g/mol
LogP0.74
Rot. Bonds4

About [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 97423213) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
PubChem CID97423213
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESCc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2cnccn2)C3)n1
InChIInChI=1S/C17H19N5O3/c1-12-2-3-20-16(21-12)25-11-17-9-22(7-13(17)8-24-10-17)15(23)14-6-18-4-5-19-14/h2-6,13H,7-11H2,1H3/t13-,17+/m1/s1
InChIKeyCSBXNRPIFBEPRE-DYVFJYSZSA-N
XLogP0.74
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (CID 97423213) is [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)c2cnccn2)C3)n1.
What is the InChIKey of [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is CSBXNRPIFBEPRE-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-2-3-20-16(21-12)25-11-17-9-22(7-13(17)8-24-10-17)15(23)14-6-18-4-5-19-14/h2-6,13H,7-11H2,1H3/t13-,17+/m1/s1.
What are the key properties of [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 341.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).