methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate

C19H19N3O3S — CID 58228881

IUPACmethyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H19N3O3S/c1-24-19(23)15-12-26-16-11-20-17(21-18(15)16)10-13-2-4-14(5-3-13)22-6-8-25-9-7-22/h2-5,11-12H,6-10H2,1H3
InChIKeyCTUWZINMICDRQM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate

methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate (PubChem CID 58228881) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate
PubChem CID58228881
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namemethyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H19N3O3S/c1-24-19(23)15-12-26-16-11-20-17(21-18(15)16)10-13-2-4-14(5-3-13)22-6-8-25-9-7-22/h2-5,11-12H,6-10H2,1H3
InChIKeyCTUWZINMICDRQM-UHFFFAOYSA-N
XLogP2.91
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-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

Methyl 4-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]benzoate
CID 44583610
Ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 16187901
Ethyl 3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoate
CID 164619714
Methyl 4-[[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]benzoate
CID 46943790
Methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359845
Methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359846
Ethyl 2-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoate
CID 164628320
2-((3R,4R)-3-Amino-tetrahydro-pyran-4-ylamino)-thieno[3,2-d]pyrimidine-7-carboxylic acid p-tolylamide
CID 89677008
Ethyl 2-[[2-(4-amino-2-fluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977614
Ethyl 2-[[2-(4-fluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977646
Ethyl 2-[[2-(4-amino-3,5-difluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977696
Ethyl 2-[[2-(4-amino-3-fluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate (CID 58228881) is methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate is COC(=O)c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12.
What is the InChIKey of methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is CTUWZINMICDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-19(23)15-12-26-16-11-20-17(21-18(15)16)10-13-2-4-14(5-3-13)22-6-8-25-9-7-22/h2-5,11-12H,6-10H2,1H3.
What are the key properties of methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate?
methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 58228881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).