2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

C10H14N2O3 — CID 43145199

IUPAC2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-4-12-7(3)8(5-9(13)14)6(2)11-10(12)15/h4-5H2,1-3H3,(H,13,14)
InChIKeyTXBWTLKQTGPMEO-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.51
Rot. Bonds3

About 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43145199) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43145199
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCCn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C10H14N2O3/c1-4-12-7(3)8(5-9(13)14)6(2)11-10(12)15/h4-5H2,1-3H3,(H,13,14)
InChIKeyTXBWTLKQTGPMEO-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydro-4,6-dimethyl-2-oxo-5-pyrimidineacetic acid
CID 7063871
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
3-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 43327715
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227196
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Diethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79219323
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43145199) is 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is CCn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is TXBWTLKQTGPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-12-7(3)8(5-9(13)14)6(2)11-10(12)15/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43145199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).