methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate

C11H16N2O3 — CID 43378321

IUPACmethyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
SMILESCOC(=O)CCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H16N2O3/c1-8-7-9(2)13(11(15)12-8)6-4-5-10(14)16-3/h7H,4-6H2,1-3H3
InChIKeyCPDXAQACMGMKMQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds4

About methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate

methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate (PubChem CID 43378321) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
PubChem CID43378321
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
SMILESCOC(=O)CCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H16N2O3/c1-8-7-9(2)13(11(15)12-8)6-4-5-10(14)16-3/h7H,4-6H2,1-3H3
InChIKeyCPDXAQACMGMKMQ-UHFFFAOYSA-N
XLogP0.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)butanoic acid
CID 6498495
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 7442666
4-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-YL)-butyric acid hydrochloride
CID 18593179
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
Ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 43365424
Ethyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-3-oxobutanoate
CID 63898718
Ethyl 6-(4,6-dimethyl-2-oxopyrimidin-1-yl)hexanoate
CID 64294671
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylbutanoic acid
CID 65248075
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
CID 79630237
Methyl 4-(5-bromo-4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 81693573
Methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate
CID 154765123

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate?
The IUPAC name of methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate (CID 43378321) is methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate is COC(=O)CCCn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate?
The InChIKey is CPDXAQACMGMKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-7-9(2)13(11(15)12-8)6-4-5-10(14)16-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate?
methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate has a molecular weight of 224.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate is sourced from PubChem (CID 43378321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).