2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid

C12H19N3O3 — CID 66333429

IUPAC2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1cc(OC(C)C)ncn1
InChIInChI=1S/C12H19N3O3/c1-5-9(12(16)17)15(4)10-6-11(14-7-13-10)18-8(2)3/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyGBIUNCCXZMZMTP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds6

About 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid

2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid (PubChem CID 66333429) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
PubChem CID66333429
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1cc(OC(C)C)ncn1
InChIInChI=1S/C12H19N3O3/c1-5-9(12(16)17)15(4)10-6-11(14-7-13-10)18-8(2)3/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyGBIUNCCXZMZMTP-UHFFFAOYSA-N
XLogP1.56
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid (CID 66333429) is 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid is CCC(C(=O)O)N(C)c1cc(OC(C)C)ncn1.
What is the InChIKey of 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid?
The InChIKey is GBIUNCCXZMZMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-9(12(16)17)15(4)10-6-11(14-7-13-10)18-8(2)3/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid?
2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 66333429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).