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

C9H12N2O3 — CID 28940052

IUPACmethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-7(2)11(9(13)10-6)5-8(12)14-3/h4H,5H2,1-3H3
InChIKeySMRBDTALMOXLRU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds2

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

methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate (PubChem CID 28940052) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
PubChem CID28940052
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-7(2)11(9(13)10-6)5-8(12)14-3/h4H,5H2,1-3H3
InChIKeySMRBDTALMOXLRU-UHFFFAOYSA-N
XLogP0.03
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetic acid
CID 4120141
2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid hydrochloride
CID 44667857
1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
2-(4,6-Dimethyl-2-oxopyrimidin-1(2h)-yl)ethyl acetate
CID 175647253
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81296319
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81296713
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 13306028
2-(4,6-dimethyl-2H-pyrimidin-1-yl)ethyl acetate
CID 131966797
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetate
CID 4120140
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 16783736
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
Propan-2-yl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 61674185

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate (CID 28940052) is methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate is COC(=O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The InChIKey is SMRBDTALMOXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-7(2)11(9(13)10-6)5-8(12)14-3/h4H,5H2,1-3H3.
What are the key properties of methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 28940052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).