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

C14H22N2O3 — CID 103463520

IUPAC2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC(C)(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C14H22N2O3/c1-6-14(4,5)8-16-10(3)11(7-12(17)18)9(2)15-13(16)19/h6-8H2,1-5H3,(H,17,18)
InChIKeyCYWRAVMKPCOBTH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.92
Rot. Bonds5

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

2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 103463520) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID103463520
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC(C)(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C14H22N2O3/c1-6-14(4,5)8-16-10(3)11(7-12(17)18)9(2)15-13(16)19/h6-8H2,1-5H3,(H,17,18)
InChIKeyCYWRAVMKPCOBTH-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(tert-butylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115357140
2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 65038994
2-[4,6-dimethyl-1-(2-methylpentan-2-yl)-2-oxopyrimidin-5-yl]acetic acid
CID 113471957
2-[4,6-dimethyl-1-(2-methylsulfonylethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 54934750
2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113478079
2-[1-[2-(ethylsulfamoyl)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 106339700
3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
CID 65293601
2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
CID 62992897
2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
CID 63243997
2-[4,6-dimethyl-1-(1,2-oxazol-5-ylmethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 114186633
2-[1-[3-(cyclopropylamino)-3-oxopropyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79376564
2-[1-[(3-bromophenyl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61410377

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 103463520) is 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCC(C)(C)Cn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is CYWRAVMKPCOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-14(4,5)8-16-10(3)11(7-12(17)18)9(2)15-13(16)19/h6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 103463520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).