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

C13H21N3O3 — CID 66331276

IUPAC2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCCOc1cc(NC(CC(C)C)C(=O)O)nc(C)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-12-7-11(14-9(4)15-12)16-10(13(17)18)6-8(2)3/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyXNQDLAUAUQBNBU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.09
Rot. Bonds7

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

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 66331276) 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]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
PubChem CID66331276
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
SMILESCCOc1cc(NC(CC(C)C)C(=O)O)nc(C)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-12-7-11(14-9(4)15-12)16-10(13(17)18)6-8(2)3/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyXNQDLAUAUQBNBU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 113440784
(2S)-2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964503
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66332093
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
CID 122049144
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid (CID 66331276) is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid is CCOc1cc(NC(CC(C)C)C(=O)O)nc(C)n1.
What is the InChIKey of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is XNQDLAUAUQBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-12-7-11(14-9(4)15-12)16-10(13(17)18)6-8(2)3/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid?
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.09, 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]-4-methylpentanoic acid is sourced from PubChem (CID 66331276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).