ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate

C16H19N3O3 — CID 54851455

IUPACethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccccc1OCC
InChIInChI=1S/C16H19N3O3/c1-4-21-12-9-7-6-8-11(12)14-13(15(20)22-5-2)10(3)18-16(17)19-14/h6-9H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMUEFVENDGITIHX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.61
Rot. Bonds5

About ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate

ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 54851455) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID54851455
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccccc1OCC
InChIInChI=1S/C16H19N3O3/c1-4-21-12-9-7-6-8-11(12)14-13(15(20)22-5-2)10(3)18-16(17)19-14/h6-9H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyMUEFVENDGITIHX-UHFFFAOYSA-N
XLogP2.61
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197
4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid
CID 151058950
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate (CID 54851455) is ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1-c1ccccc1OCC.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is MUEFVENDGITIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-21-12-9-7-6-8-11(12)14-13(15(20)22-5-2)10(3)18-16(17)19-14/h6-9H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate?
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 54851455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).