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

C9H12N2O3 — CID 43112140

IUPAC2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C)c(C)c1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(4-8(12)13)6(2)11(3)9(14)10-5/h4H2,1-3H3,(H,12,13)
InChIKeyWCJPGAZBWOEMHL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.02
Rot. Bonds2

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

2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43112140) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43112140
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C)c(C)c1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(4-8(12)13)6(2)11(3)9(14)10-5/h4H2,1-3H3,(H,12,13)
InChIKeyWCJPGAZBWOEMHL-UHFFFAOYSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.02
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
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
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-(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]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 113303971
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115408224
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]acetic acid
CID 115521540

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43112140) is 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid is Cc1nc(=O)n(C)c(C)c1CC(=O)O.
What is the InChIKey of 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is WCJPGAZBWOEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7(4-8(12)13)6(2)11(3)9(14)10-5/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43112140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).