ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate

C10H15N3O3 — CID 114600536

IUPACethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncc(OC)cn1
InChIInChI=1S/C10H15N3O3/c1-3-16-9(14)4-5-11-10-12-6-8(15-2)7-13-10/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVFQAHOBRGWRHPI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.85
Rot. Bonds6

About ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate

ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate (PubChem CID 114600536) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
PubChem CID114600536
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1ncc(OC)cn1
InChIInChI=1S/C10H15N3O3/c1-3-16-9(14)4-5-11-10-12-6-8(15-2)7-13-10/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVFQAHOBRGWRHPI-UHFFFAOYSA-N
XLogP0.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
ethyl 4-chloro-2-[(3-ethoxy-3-oxopropyl)amino]pyrimidine-5-carboxylate
CID 174635272
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
CID 106660444
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
ethyl 4-[(5-nitropyrimidin-2-yl)amino]butanoate
CID 64578558
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 114600318
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate (CID 114600536) is ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate is CCOC(=O)CCNc1ncc(OC)cn1.
What is the InChIKey of ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate?
The InChIKey is VFQAHOBRGWRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-9(14)4-5-11-10-12-6-8(15-2)7-13-10/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate?
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 114600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).