2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid

C11H17N3O3 — CID 81078586

IUPAC2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCc1cc(NC(COC)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-8-5-10(13-7(2)12-8)14-9(6-17-3)11(15)16/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyDKYDJLCBPQHEFF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.86
Rot. Bonds6

About 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid

2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid (PubChem CID 81078586) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
PubChem CID81078586
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCc1cc(NC(COC)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-8-5-10(13-7(2)12-8)14-9(6-17-3)11(15)16/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyDKYDJLCBPQHEFF-UHFFFAOYSA-N
XLogP0.86
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid with MolForge

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Related Compounds

(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 97073917
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
CID 81078416
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
CID 103256739
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid (CID 81078586) is 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid is CCc1cc(NC(COC)C(=O)O)nc(C)n1.
What is the InChIKey of 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The InChIKey is DKYDJLCBPQHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-8-5-10(13-7(2)12-8)14-9(6-17-3)11(15)16/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid?
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).