ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate

C9H13N3O3 — CID 55207180

IUPACethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nccc(OC)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-8(13)6-11-9-10-5-4-7(12-9)14-2/h4-5H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyBCYWXPRBICASCP-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.46
Rot. Bonds5

About ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate

ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate (PubChem CID 55207180) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
PubChem CID55207180
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nccc(OC)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-8(13)6-11-9-10-5-4-7(12-9)14-2/h4-5H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyBCYWXPRBICASCP-UHFFFAOYSA-N
XLogP0.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
CID 112638339
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate (CID 55207180) is ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate is CCOC(=O)CNc1nccc(OC)n1.
What is the InChIKey of ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate?
The InChIKey is BCYWXPRBICASCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-8(13)6-11-9-10-5-4-7(12-9)14-2/h4-5H,3,6H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate?
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 55207180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).