ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate

C16H19N3O4 — CID 54851405

IUPACethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1COc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4/c1-4-22-15(20)14-10(2)18-16(17)19-13(14)9-23-12-7-5-11(21-3)6-8-12/h5-8H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyVNYFKZKQICFUQP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate

ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate (PubChem CID 54851405) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
PubChem CID54851405
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1COc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O4/c1-4-22-15(20)14-10(2)18-16(17)19-13(14)9-23-12-7-5-11(21-3)6-8-12/h5-8H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyVNYFKZKQICFUQP-UHFFFAOYSA-N
XLogP2.13
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate (CID 54851405) is ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1COc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate?
The InChIKey is VNYFKZKQICFUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-22-15(20)14-10(2)18-16(17)19-13(14)9-23-12-7-5-11(21-3)6-8-12/h5-8H,4,9H2,1-3H3,(H2,17,18,19).
What are the key properties of ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate?
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 54851405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).