ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate

C15H17N3O4 — CID 82168477

IUPACethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COc2ccccc2OC)nc1N
InChIInChI=1S/C15H17N3O4/c1-3-21-15(19)10-8-17-13(18-14(10)16)9-22-12-7-5-4-6-11(12)20-2/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyILCBMMIEYJJBDF-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.82
Rot. Bonds6

About ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate

ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate (PubChem CID 82168477) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
PubChem CID82168477
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COc2ccccc2OC)nc1N
InChIInChI=1S/C15H17N3O4/c1-3-21-15(19)10-8-17-13(18-14(10)16)9-22-12-7-5-4-6-11(12)20-2/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyILCBMMIEYJJBDF-UHFFFAOYSA-N
XLogP1.82
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-amino-2-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 50758202
5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168643
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
ethyl 4-[(2-methoxyphenyl)methoxy]-2-methylsulfinylpyrimidine-5-carboxylate
CID 143501790
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate (CID 82168477) is ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(COc2ccccc2OC)nc1N.
What is the InChIKey of ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate?
The InChIKey is ILCBMMIEYJJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-21-15(19)10-8-17-13(18-14(10)16)9-22-12-7-5-4-6-11(12)20-2/h4-8H,3,9H2,1-2H3,(H2,16,17,18).
What are the key properties of ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate?
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 82168477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).