methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate

C11H17N3O3 — CID 112638969

IUPACmethyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
SMILESCCOc1ccnc(N(C)CCC(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-17-9-5-7-12-11(13-9)14(2)8-6-10(15)16-3/h5,7H,4,6,8H2,1-3H3
InChIKeyKZBWQCFQDKONPT-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.87
Rot. Bonds6

About methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate

methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate (PubChem CID 112638969) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
PubChem CID112638969
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
SMILESCCOc1ccnc(N(C)CCC(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-17-9-5-7-12-11(13-9)14(2)8-6-10(15)16-3/h5,7H,4,6,8H2,1-3H3
InChIKeyKZBWQCFQDKONPT-UHFFFAOYSA-N
XLogP0.87
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
CID 43378933
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
CID 114787553
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate (CID 112638969) is methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate is CCOc1ccnc(N(C)CCC(=O)OC)n1.
What is the InChIKey of methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate?
The InChIKey is KZBWQCFQDKONPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-17-9-5-7-12-11(13-9)14(2)8-6-10(15)16-3/h5,7H,4,6,8H2,1-3H3.
What are the key properties of methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate?
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate is sourced from PubChem (CID 112638969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).