ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate

C10H15N3O3 — CID 116646813

IUPACethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
SMILESCCOCc1ncc(C(=O)OCC)c(N)n1
InChIInChI=1S/C10H15N3O3/c1-3-15-6-8-12-5-7(9(11)13-8)10(14)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyZPLIBQGAZPIBMP-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.77
Rot. Bonds5

About ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate

ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate (PubChem CID 116646813) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
PubChem CID116646813
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
SMILESCCOCc1ncc(C(=O)OCC)c(N)n1
InChIInChI=1S/C10H15N3O3/c1-3-15-6-8-12-5-7(9(11)13-8)10(14)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyZPLIBQGAZPIBMP-UHFFFAOYSA-N
XLogP0.77
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
2-(ethoxymethyl)-5-iodopyrimidin-4-amine
CID 66303101
ethyl 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine-5-carboxylate
CID 103476114
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 4-amino-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
CID 116646861
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate (CID 116646813) is ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate is CCOCc1ncc(C(=O)OCC)c(N)n1.
What is the InChIKey of ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is ZPLIBQGAZPIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-15-6-8-12-5-7(9(11)13-8)10(14)16-4-2/h5H,3-4,6H2,1-2H3,(H2,11,12,13).
What are the key properties of ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).