methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate

C12H19N3O4 — CID 113293035

IUPACmethyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H19N3O4/c1-5-15(7-6-11(16)19-4)12-13-9(17-2)8-10(14-12)18-3/h8H,5-7H2,1-4H3
InChIKeyNTDZVLOEOLTYEC-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.88
Rot. Bonds7

About methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate

methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate (PubChem CID 113293035) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
PubChem CID113293035
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H19N3O4/c1-5-15(7-6-11(16)19-4)12-13-9(17-2)8-10(14-12)18-3/h8H,5-7H2,1-4H3
InChIKeyNTDZVLOEOLTYEC-UHFFFAOYSA-N
XLogP0.88
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
CID 115355694
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275314
N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 115355574
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 3-(N-ethyl-4-fluoro-5-methoxy-2-nitroanilino)propanoate
CID 63598517
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate (CID 113293035) is methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate is CCN(CCC(=O)OC)c1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate?
The InChIKey is NTDZVLOEOLTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-5-15(7-6-11(16)19-4)12-13-9(17-2)8-10(14-12)18-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate?
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate has a molecular weight of 269.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate is sourced from PubChem (CID 113293035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).