2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid

C13H21N3O3 — CID 66332496

IUPAC2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1cc(OCC)nc(C)n1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-7-13(4,12(17)18)16-10-8-11(19-6-2)15-9(3)14-10/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyMFVKMQIIIHSAPM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.24
Rot. Bonds7

About 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid (PubChem CID 66332496) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
PubChem CID66332496
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1cc(OCC)nc(C)n1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-7-13(4,12(17)18)16-10-8-11(19-6-2)15-9(3)14-10/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyMFVKMQIIIHSAPM-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66284573
6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 66332096
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 61226078
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133921
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid (CID 66332496) is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1cc(OCC)nc(C)n1)C(=O)O.
What is the InChIKey of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid?
The InChIKey is MFVKMQIIIHSAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-13(4,12(17)18)16-10-8-11(19-6-2)15-9(3)14-10/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid?
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 66332496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).