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

C8H9N2O3- — CID 4120140

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)[O-])c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-6(2)10(4-7(11)12)8(13)9-5/h3H,4H2,1-2H3,(H,11,12)/p-1
InChIKeyRRROEJCGBTXLGK-UHFFFAOYSA-M
MW181.17 g/mol
LogP-1.39
Rot. Bonds2

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

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate (PubChem CID 4120140) has the molecular formula C8H9N2O3- and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
PubChem CID4120140
Molecular FormulaC8H9N2O3-
Molecular Weight181.17 g/mol
Exact Mass181.06
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)[O-])c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-6(2)10(4-7(11)12)8(13)9-5/h3H,4H2,1-2H3,(H,11,12)/p-1
InChIKeyRRROEJCGBTXLGK-UHFFFAOYSA-M
XLogP-1.39
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-1.39
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
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-2-oxopyrimidin-1-yl)acetaldehyde
CID 62016953
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
4,6-Dimethyl-1-(2-oxopropyl)pyrimidin-2(1H)-one
CID 12613592
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 16783736
2-(4,5,6-Trimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid
CID 25917256
Methyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 28940052

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate (CID 4120140) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate is Cc1cc(C)n(CC(=O)[O-])c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
The InChIKey is RRROEJCGBTXLGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-6(2)10(4-7(11)12)8(13)9-5/h3H,4H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate has a molecular weight of 181.17 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 4120140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).