methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate

C13H21N3O3 — CID 66331782

IUPACmethyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
SMILESCCCOc1cc(N(C)CC(C)C(=O)OC)ncn1
InChIInChI=1S/C13H21N3O3/c1-5-6-19-12-7-11(14-9-15-12)16(3)8-10(2)13(17)18-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyWPFDMCXCGNUMSR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.51
Rot. Bonds7

About methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate

methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate (PubChem CID 66331782) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
PubChem CID66331782
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
SMILESCCCOc1cc(N(C)CC(C)C(=O)OC)ncn1
InChIInChI=1S/C13H21N3O3/c1-5-6-19-12-7-11(14-9-15-12)16(3)8-10(2)13(17)18-4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyWPFDMCXCGNUMSR-UHFFFAOYSA-N
XLogP1.51
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate (CID 66331782) is methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate is CCCOc1cc(N(C)CC(C)C(=O)OC)ncn1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate?
The InChIKey is WPFDMCXCGNUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-19-12-7-11(14-9-15-12)16(3)8-10(2)13(17)18-4/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate?
methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 66331782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).