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

C15H15BrN2O3 — CID 43806571

IUPAC2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1ccc(Br)cc1-n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H15BrN2O3/c1-8-4-5-11(16)6-13(8)18-10(3)12(7-14(19)20)9(2)17-15(18)21/h4-6H,7H2,1-3H3,(H,19,20)
InChIKeyTVCIDEUATUPFST-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.55
Rot. Bonds3

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

2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43806571) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43806571
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1ccc(Br)cc1-n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C15H15BrN2O3/c1-8-4-5-11(16)6-13(8)18-10(3)12(7-14(19)20)9(2)17-15(18)21/h4-6H,7H2,1-3H3,(H,19,20)
InChIKeyTVCIDEUATUPFST-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dibromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61477421
2-[1-(4-bromo-2-chlorophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43347467
2-[1-(4-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145217
2-[1-(2-bromo-4-chlorophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 81279936
2-[1-(2-chloro-5-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 107638325
2-[4,6-dimethyl-1-(2-methylsulfanylphenyl)-2-oxopyrimidin-5-yl]acetic acid
CID 107645539
2-[1-[(3-bromophenyl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61410377
3-[1-(3-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43327669
2-[1-(5-bromo-2-methylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43806751
1-(5-bromo-2-methylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 43805801
2-[[4-(5-bromo-2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62898801
3-[1-(5-bromo-1,3-thiazol-2-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 60784808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43806571) is 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1ccc(Br)cc1-n1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is TVCIDEUATUPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-8-4-5-11(16)6-13(8)18-10(3)12(7-14(19)20)9(2)17-15(18)21/h4-6H,7H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 351.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).