[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone

C16H22N4O4 — CID 97386289

IUPAC[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)ncn1
InChIInChI=1S/C16H22N4O4/c1-22-15-9-14(17-10-18-15)20-3-2-12-11(20)8-13(24-12)16(21)19-4-6-23-7-5-19/h9-13H,2-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyFWAHSSNWENGROW-RWMBFGLXSA-N
MW334.38 g/mol
LogP0.08
Rot. Bonds3

About [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone

[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 97386289) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID97386289
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)ncn1
InChIInChI=1S/C16H22N4O4/c1-22-15-9-14(17-10-18-15)20-3-2-12-11(20)8-13(24-12)16(21)19-4-6-23-7-5-19/h9-13H,2-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyFWAHSSNWENGROW-RWMBFGLXSA-N
XLogP0.08
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone (CID 97386289) is [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone is COc1cc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)ncn1.
What is the InChIKey of [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FWAHSSNWENGROW-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-22-15-9-14(17-10-18-15)20-3-2-12-11(20)8-13(24-12)16(21)19-4-6-23-7-5-19/h9-13H,2-8H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
[(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97386289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).