2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid

C13H19N3O3 — CID 81162300

IUPAC2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1cc(NCC2(CC(=O)O)CCC2)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-15-10(6-11(16-9)19-2)14-8-13(4-3-5-13)7-12(17)18/h6H,3-5,7-8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyJMBHJXSJPKUBOT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162300) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162300
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1cc(NCC2(CC(=O)O)CCC2)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-15-10(6-11(16-9)19-2)14-8-13(4-3-5-13)7-12(17)18/h6H,3-5,7-8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyJMBHJXSJPKUBOT-UHFFFAOYSA-N
XLogP1.85
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 114108518
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 115363600
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
CID 114335389
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
CID 81161249
2-[1-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
CID 66333956
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
CID 81161057
6-methoxy-2-methyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 66326081
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid (CID 81162300) is 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid is COc1cc(NCC2(CC(=O)O)CCC2)nc(C)n1.
What is the InChIKey of 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is JMBHJXSJPKUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-15-10(6-11(16-9)19-2)14-8-13(4-3-5-13)7-12(17)18/h6H,3-5,7-8H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).