ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate

C12H13N3O2S — CID 20754791

IUPACethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccs2)nc1NC
InChIInChI=1S/C12H13N3O2S/c1-3-17-12(16)8-7-14-11(15-10(8)13-2)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeySWQIHCAKNCEOPF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.42
Rot. Bonds4

About ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate

ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate (PubChem CID 20754791) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate
PubChem CID20754791
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccs2)nc1NC
InChIInChI=1S/C12H13N3O2S/c1-3-17-12(16)8-7-14-11(15-10(8)13-2)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeySWQIHCAKNCEOPF-UHFFFAOYSA-N
XLogP2.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-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 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate (CID 20754791) is ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccs2)nc1NC.
What is the InChIKey of ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate?
The InChIKey is SWQIHCAKNCEOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-17-12(16)8-7-14-11(15-10(8)13-2)9-5-4-6-18-9/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate?
ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)-2-thiophen-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 20754791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).