[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone

C15H20N4O3 — CID 97483859

IUPAC[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-6-1-2-7-22-19)12-10-21-13-9-18(8-11(12)13)15-16-4-3-5-17-15/h3-5,11-13H,1-2,6-10H2/t11-,12+,13-/m1/s1
InChIKeyQYYMLJQQUSGHKD-FRRDWIJNSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds2

About [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone

[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone (PubChem CID 97483859) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone
PubChem CID97483859
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-6-1-2-7-22-19)12-10-21-13-9-18(8-11(12)13)15-16-4-3-5-17-15/h3-5,11-13H,1-2,6-10H2/t11-,12+,13-/m1/s1
InChIKeyQYYMLJQQUSGHKD-FRRDWIJNSA-N
XLogP0.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,3aR,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787633
[(4R,4aS,8aR)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155832737
[(3R,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 171694849
[(3R,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(1,2-oxazolidin-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155844951
[(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367107
[(3aR,4S,7aR)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(oxazinan-2-yl)methanone
CID 124787422
oxazinan-2-yl-(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanone
CID 133140974
[(3aS,7S,7aS)-2-phenyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 124786962
2-[(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(oxazinan-2-yl)ethanone
CID 97486196
[(7S)-8-methyl-2-pyrimidin-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124809338
[(3aS,5S,7aS)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(oxazinan-2-yl)methanone
CID 124787082
2-[(3S,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485930

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone (CID 97483859) is [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone is O=C([C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCCO1.
What is the InChIKey of [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone?
The InChIKey is QYYMLJQQUSGHKD-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(19-6-1-2-7-22-19)12-10-21-13-9-18(8-11(12)13)15-16-4-3-5-17-15/h3-5,11-13H,1-2,6-10H2/t11-,12+,13-/m1/s1.
What are the key properties of [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone?
[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 97483859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).