(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C15H20N4O4 — CID 131691119

IUPAC(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCOCCN1C[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@@H]2C1=O
InChIInChI=1S/C15H20N4O4/c1-22-4-3-18-7-10-8-19(9-12(10)14(18)20)15(21)13-16-5-11(23-2)6-17-13/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyLVWUPQQZNBKZOD-PWSUYJOCSA-N
MW320.35 g/mol
LogP-0.34
Rot. Bonds5

About (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 131691119) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID131691119
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCOCCN1C[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@@H]2C1=O
InChIInChI=1S/C15H20N4O4/c1-22-4-3-18-7-10-8-19(9-12(10)14(18)20)15(21)13-16-5-11(23-2)6-17-13/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyLVWUPQQZNBKZOD-PWSUYJOCSA-N
XLogP-0.34
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

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Related Compounds

(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97409785
(3aS*,6aS*)-2-(N,N-dimethylglycyl)-5-(5-methoxy-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
CID 72889134
(5-Methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 131683860
(5-Methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131683910
[(3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(5-methoxypyrimidin-2-yl)methanone
CID 131686387
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methoxypyrimidin-2-yl)methanone
CID 131688070
(5S,9S)-2-(2-methoxyethyl)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131688186
(5S,9S)-7-(5-methoxypyrimidine-2-carbonyl)-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131688328
[7-(2-Methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone
CID 131688909
(3aR,6aR)-2-(5-methoxypyrimidine-2-carbonyl)-5-(2-methylpropyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131690954
(3aR,6aR)-2-(5-chloropyrimidine-2-carbonyl)-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131690997
(5-Methoxypyrimidin-2-yl)-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131691570

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 131691119) is (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is COCCN1C[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@@H]2C1=O.
What is the InChIKey of (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is LVWUPQQZNBKZOD-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-22-4-3-18-7-10-8-19(9-12(10)14(18)20)15(21)13-16-5-11(23-2)6-17-13/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 320.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(2-methoxyethyl)-2-(5-methoxypyrimidine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 131691119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).