methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate

C10H14N2O3 — CID 28940050

IUPACmethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)5-4-9(13)15-3/h6H,4-5H2,1-3H3
InChIKeySWXVJHOFVGRCCE-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds3

About methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate

methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (PubChem CID 28940050) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
PubChem CID28940050
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)5-4-9(13)15-3/h6H,4-5H2,1-3H3
InChIKeySWXVJHOFVGRCCE-UHFFFAOYSA-N
XLogP0.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
2-(4,6-Dimethyl-2-oxopyrimidin-1(2h)-yl)ethyl acetate
CID 175647253
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 7442666
Methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 28940052
Ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 43365424
Methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 43378321
ethyl 2-(1-ethyl-4,6-dimethyl-2H-pyrimidin-2-yl)ethaneperoxoate
CID 45118146
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
4,6-Dimethyl-1-(3-oxobutyl)pyrimidin-2-one
CID 62017678
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanal
CID 63041508

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate (CID 28940050) is methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is COC(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
The InChIKey is SWXVJHOFVGRCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(14)11-7)5-4-9(13)15-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate?
methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 28940050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).