ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate

C16H19N3O3 — CID 54851451

IUPACethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1C(C)Oc1ccccc1
InChIInChI=1S/C16H19N3O3/c1-4-21-15(20)13-10(2)18-16(17)19-14(13)11(3)22-12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H2,17,18,19)
InChIKeyBXGQIUNHTLCGGW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.68
Rot. Bonds5

About ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate

ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate (PubChem CID 54851451) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
PubChem CID54851451
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1C(C)Oc1ccccc1
InChIInChI=1S/C16H19N3O3/c1-4-21-15(20)13-10(2)18-16(17)19-14(13)11(3)22-12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H2,17,18,19)
InChIKeyBXGQIUNHTLCGGW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 54850762
2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852104
2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
CID 54850894
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851712
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
CID 54850950
2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
ethyl 2,5-dimethyl-4-[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 7833454
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate (CID 54851451) is ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1C(C)Oc1ccccc1.
What is the InChIKey of ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate?
The InChIKey is BXGQIUNHTLCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-21-15(20)13-10(2)18-16(17)19-14(13)11(3)22-12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate?
ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.68, 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-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 54851451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).