ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate

C11H17N3O2 — CID 55209509

IUPACethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1cc(C)ncn1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)5-6-14(3)10-7-9(2)12-8-13-10/h7-8H,4-6H2,1-3H3
InChIKeyZTSLATAMGHLMTM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.17
Rot. Bonds5

About ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate

ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 55209509) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
PubChem CID55209509
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1cc(C)ncn1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)5-6-14(3)10-7-9(2)12-8-13-10/h7-8H,4-6H2,1-3H3
InChIKeyZTSLATAMGHLMTM-UHFFFAOYSA-N
XLogP1.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
CID 114074473
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate (CID 55209509) is ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate is CCOC(=O)CCN(C)c1cc(C)ncn1.
What is the InChIKey of ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is ZTSLATAMGHLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-11(15)5-6-14(3)10-7-9(2)12-8-13-10/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate?
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 55209509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).