5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C17H23N3O4 — CID 154867922

IUPAC5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c1-23-14-8-18-15(19-16(14)21)13-3-2-6-20(13)17(22)12-5-4-11-7-10(12)9-24-11/h8,10-13H,2-7,9H2,1H3,(H,18,19,21)/t10-,11+,12-,13?/m1/s1
InChIKeyDMWHZOYUWMQHER-DAAZQVBGSA-N
MW333.39 g/mol
LogP1.26
Rot. Bonds3

About 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 154867922) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID154867922
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cnc(C2CCCN2C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c1-23-14-8-18-15(19-16(14)21)13-3-2-6-20(13)17(22)12-5-4-11-7-10(12)9-24-11/h8,10-13H,2-7,9H2,1H3,(H,18,19,21)/t10-,11+,12-,13?/m1/s1
InChIKeyDMWHZOYUWMQHER-DAAZQVBGSA-N
XLogP1.26
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[1-(2-cyclopropylpyridine-4-carbonyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 154867554
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2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 138026447
2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136564345
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
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methyl N-[(1S)-3-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(1R,3S)-3-(methoxycarbonylamino)cyclopentanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
CID 71249783
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tert-butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
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CID 67682494

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 154867922) is 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is COc1cnc(C2CCCN2C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)[nH]c1=O.
What is the InChIKey of 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is DMWHZOYUWMQHER-DAAZQVBGSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-14-8-18-15(19-16(14)21)13-3-2-6-20(13)17(22)12-5-4-11-7-10(12)9-24-11/h8,10-13H,2-7,9H2,1H3,(H,18,19,21)/t10-,11+,12-,13?/m1/s1.
What are the key properties of 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 333.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(1S,2R,5S)-6-oxabicyclo[3.2.1]octane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154867922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).