2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid

C12H13N3O4 — CID 114186633

IUPAC2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(Cc2ccno2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13N3O4/c1-7-10(5-11(16)17)8(2)15(12(18)14-7)6-9-3-4-13-19-9/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyUPZFAJIITRVJFN-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.52
Rot. Bonds4

About 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 114186633) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid
PubChem CID114186633
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(Cc2ccno2)c(C)c1CC(=O)O
InChIInChI=1S/C12H13N3O4/c1-7-10(5-11(16)17)8(2)15(12(18)14-7)6-9-3-4-13-19-9/h3-4H,5-6H2,1-2H3,(H,16,17)
InChIKeyUPZFAJIITRVJFN-UHFFFAOYSA-N
XLogP0.52
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-bromophenyl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61410377
2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 103463520
2-[4,6-dimethyl-1-(2-methylsulfonylethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 54934750
2-[1-[2-(tert-butylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115357140
azane;2-(1,2-oxazol-5-yl)acetic acid;platinum(2+);dichloride
CID 46843401
2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
CID 62992897
2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113478079
2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
CID 63243997
2-[1-[2-(ethylsulfamoyl)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 106339700
2-[1-(4-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145217
2-[1,3-dimethyl-6-(1,2-oxazol-5-ylmethyl)imidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 106419632
2-[1-[3-(cyclopropylamino)-3-oxopropyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79376564

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid (CID 114186633) is 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(Cc2ccno2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is UPZFAJIITRVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-10(5-11(16)17)8(2)15(12(18)14-7)6-9-3-4-13-19-9/h3-4H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 114186633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).