3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid

C11H17N3O3 — CID 115427635

IUPAC3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1cc(NCC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-7-13-8(5-9(14-7)17-4)12-6-11(2,3)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyVWQFYOPVGNONLU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.32
Rot. Bonds5

About 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid

3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427635) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427635
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1cc(NCC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-7-13-8(5-9(14-7)17-4)12-6-11(2,3)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14)
InChIKeyVWQFYOPVGNONLU-UHFFFAOYSA-N
XLogP1.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 114942912
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266860
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162300
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid (CID 115427635) is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid is COc1cc(NCC(C)(C)C(=O)O)nc(C)n1.
What is the InChIKey of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is VWQFYOPVGNONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-13-8(5-9(14-7)17-4)12-6-11(2,3)10(15)16/h5H,6H2,1-4H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid?
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).