ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate

C12H19N3O3 — CID 66327197

IUPACethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncnc(OCC)c1C
InChIInChI=1S/C12H19N3O3/c1-5-17-10(16)7-15(4)11-9(3)12(18-6-2)14-8-13-11/h8H,5-7H2,1-4H3
InChIKeyRXBBQMQBACGASA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.18
Rot. Bonds6

About ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate

ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate (PubChem CID 66327197) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
PubChem CID66327197
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncnc(OCC)c1C
InChIInChI=1S/C12H19N3O3/c1-5-17-10(16)7-15(4)11-9(3)12(18-6-2)14-8-13-11/h8H,5-7H2,1-4H3
InChIKeyRXBBQMQBACGASA-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

ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine
CID 66324953
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66324707
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
CID 87186035
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
N'-(6-ethoxy-5-methylpyrimidin-4-yl)-N'-ethylpropane-1,3-diamine
CID 66325128

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate (CID 66327197) is ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate is CCOC(=O)CN(C)c1ncnc(OCC)c1C.
What is the InChIKey of ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate?
The InChIKey is RXBBQMQBACGASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-17-10(16)7-15(4)11-9(3)12(18-6-2)14-8-13-11/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate?
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate 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 ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 66327197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).