methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate

C12H19N3O3 — CID 112635260

IUPACmethyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
SMILESCCOc1cc(C)nc(N(C)CCC(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-5-18-10-8-9(2)13-12(14-10)15(3)7-6-11(16)17-4/h8H,5-7H2,1-4H3
InChIKeyRVBNJOYSAPYOQE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.18
Rot. Bonds6

About methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate

methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate (PubChem CID 112635260) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
PubChem CID112635260
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
SMILESCCOc1cc(C)nc(N(C)CCC(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-5-18-10-8-9(2)13-12(14-10)15(3)7-6-11(16)17-4/h8H,5-7H2,1-4H3
InChIKeyRVBNJOYSAPYOQE-UHFFFAOYSA-N
XLogP1.18
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
CID 115973715
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
CID 114787553
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
CID 112634398
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate (CID 112635260) is methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate is CCOc1cc(C)nc(N(C)CCC(=O)OC)n1.
What is the InChIKey of methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate?
The InChIKey is RVBNJOYSAPYOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-18-10-8-9(2)13-12(14-10)15(3)7-6-11(16)17-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate?
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate is sourced from PubChem (CID 112635260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).