6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one

C15H23N3O3 — CID 53200998

IUPAC6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(CC2CCCO2)c(N2CCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-20-11-12-9-14(19)18(10-13-5-4-8-21-13)15(16-12)17-6-2-3-7-17/h9,13H,2-8,10-11H2,1H3
InChIKeyYMYNJTDILWCMCL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds5

About 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one

6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 53200998) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID53200998
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(CC2CCCO2)c(N2CCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-20-11-12-9-14(19)18(10-13-5-4-8-21-13)15(16-12)17-6-2-3-7-17/h9,13H,2-8,10-11H2,1H3
InChIKeyYMYNJTDILWCMCL-UHFFFAOYSA-N
XLogP1.17
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-7-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24591582
2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 51364963
8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine
CID 123488868
2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 95285907
3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 51076450
7-chloro-2-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 55496964
(2R)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 97187396
2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 51074941
6,7-dimethyl-4-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one
CID 24591562
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24613734
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
N-(2-methoxyethyl)-2-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55496895

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one (CID 53200998) is 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one is COCc1cc(=O)n(CC2CCCO2)c(N2CCCC2)n1.
What is the InChIKey of 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is YMYNJTDILWCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-11-12-9-14(19)18(10-13-5-4-8-21-13)15(16-12)17-6-2-3-7-17/h9,13H,2-8,10-11H2,1H3.
What are the key properties of 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one?
6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 293.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53200998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).