methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate

C15H22N2O6 — CID 21312564

IUPACmethyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
SMILESCOC(=O)CCCn1c(C)cc(=O)n(CCCC(=O)OC)c1=O
InChIInChI=1S/C15H22N2O6/c1-11-10-12(18)17(9-5-7-14(20)23-3)15(21)16(11)8-4-6-13(19)22-2/h10H,4-9H2,1-3H3
InChIKeyRJWZDKHMQFIIQC-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.22
Rot. Bonds8

About methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate

methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate (PubChem CID 21312564) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
PubChem CID21312564
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Namemethyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
SMILESCOC(=O)CCCn1c(C)cc(=O)n(CCCC(=O)OC)c1=O
InChIInChI=1S/C15H22N2O6/c1-11-10-12(18)17(9-5-7-14(20)23-3)15(21)16(11)8-4-6-13(19)22-2/h10H,4-9H2,1-3H3
InChIKeyRJWZDKHMQFIIQC-UHFFFAOYSA-N
XLogP0.22
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate with MolForge

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Related Compounds

1-(3-hydroxypropyl)-3-[6-[3-(3-hydroxypropyl)-4-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-6-methylpyrimidine-2,4-dione
CID 15152537
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
CID 2783724
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
CID 3076161
methyl 4-(2,5-diformylpyrrol-1-yl)butanoate
CID 131856411
1-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]-3,6-dimethylpyrimidine-2,4-dione
CID 15503118
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
methyl 6-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]hexanoate
CID 2094136
methyl 4-[2,5-dimethyl-3-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]pyrrol-1-yl]butanoate
CID 7757208
1-(8-bromooctyl)-3,6-dimethylpyrimidine-2,4-dione
CID 2063415
methyl 4-[3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,5-dimethylpyrrol-1-yl]butanoate
CID 7960058
methyl 4-[3-(4-methoxy-4-oxobutyl)-2,4,5-trioxoimidazolidin-1-yl]butanoate
CID 21312566

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate?
The IUPAC name of methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate (CID 21312564) is methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate is COC(=O)CCCn1c(C)cc(=O)n(CCCC(=O)OC)c1=O.
What is the InChIKey of methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate?
The InChIKey is RJWZDKHMQFIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-11-10-12(18)17(9-5-7-14(20)23-3)15(21)16(11)8-4-6-13(19)22-2/h10H,4-9H2,1-3H3.
What are the key properties of methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate?
methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate has a molecular weight of 326.35 g/mol, XLogP of 0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate is sourced from PubChem (CID 21312564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).