methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate

C15H13N3O2S — CID 761015

IUPACmethyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)nc(N)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-10-12(16)17-13(9-6-4-3-5-7-9)18-14(10)21-11(8)15(19)20-2/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyFSLQHCYKGRNOJD-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds2

About methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 761015) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID761015
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)nc(N)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-10-12(16)17-13(9-6-4-3-5-7-9)18-14(10)21-11(8)15(19)20-2/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyFSLQHCYKGRNOJD-UHFFFAOYSA-N
XLogP3.04
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 4-anilino-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 16187904
Methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
Methyl 5-methyl-4-(4-methyl-1-piperazinyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1344279
Ethyl 4-(2-amino-2-oxoethyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2413168
Ethyl 5-amino-2-(methylsulfanyl)-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3440881
Methyl 5-methyl-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24899936
4-(4-Fluoro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118242667
5-Methyl-4-(Methylamino)-2-(2-Phenylethyl)thieno[2,3-D]pyrimidine-6-Carboxylic Acid
CID 124201650
Ethyl 4-[2-(dimethylamino)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2090719
4-(4-Methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
CID 2378150
Methyl 4-(3,3-dimethyl-2-oxobutyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2403982
Ethyl 4-[(4-chlorophenyl)methylamino]-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4435400

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate (CID 761015) is methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(-c3ccccc3)nc(N)c2c1C.
What is the InChIKey of methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FSLQHCYKGRNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-10-12(16)17-13(9-6-4-3-5-7-9)18-14(10)21-11(8)15(19)20-2/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 761015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).