N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide

C14H20N4O3 — CID 97476896

IUPACN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O3/c1-20-7-12(19)17-8-14-9-18(5-11(14)6-21-10-14)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyFEAHOYGEDFXXLV-RISCZKNCSA-N
MW292.34 g/mol
LogP-0.31
Rot. Bonds5

About N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide

N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide (PubChem CID 97476896) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide
PubChem CID97476896
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O3/c1-20-7-12(19)17-8-14-9-18(5-11(14)6-21-10-14)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,19)/t11-,14+/m1/s1
InChIKeyFEAHOYGEDFXXLV-RISCZKNCSA-N
XLogP-0.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide (CID 97476896) is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide?
The InChIKey is FEAHOYGEDFXXLV-RISCZKNCSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-20-7-12(19)17-8-14-9-18(5-11(14)6-21-10-14)13-15-3-2-4-16-13/h2-4,11H,5-10H2,1H3,(H,17,19)/t11-,14+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide?
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide has a molecular weight of 292.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 97476896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).