2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid

C12H19N3O3 — CID 66331230

IUPAC2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1cc(OC)nc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-6-15(12(3,4)11(16)17)9-7-10(18-5)14-8(2)13-9/h7H,6H2,1-5H3,(H,16,17)
InChIKeyLYQQOTCJWRBJGP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.48
Rot. Bonds5

About 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid

2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 66331230) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID66331230
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1cc(OC)nc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-6-15(12(3,4)11(16)17)9-7-10(18-5)14-8(2)13-9/h7H,6H2,1-5H3,(H,16,17)
InChIKeyLYQQOTCJWRBJGP-UHFFFAOYSA-N
XLogP1.48
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 66331230) is 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid is CCN(c1cc(OC)nc(C)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is LYQQOTCJWRBJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-15(12(3,4)11(16)17)9-7-10(18-5)14-8(2)13-9/h7H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66331230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).