5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine

C24H21N3OS — CID 8894309

IUPAC5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CC=C(c5ccccc5)CC4)c23)cc1
InChIInChI=1S/C24H21N3OS/c1-28-20-9-7-19(8-10-20)21-15-29-24-22(21)23(25-16-26-24)27-13-11-18(12-14-27)17-5-3-2-4-6-17/h2-11,15-16H,12-14H2,1H3
InChIKeyKKFUCWDXXOCNGT-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.66
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine

5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 8894309) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID8894309
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CC=C(c5ccccc5)CC4)c23)cc1
InChIInChI=1S/C24H21N3OS/c1-28-20-9-7-19(8-10-20)21-15-29-24-22(21)23(25-16-26-24)27-13-11-18(12-14-27)17-5-3-2-4-6-17/h2-11,15-16H,12-14H2,1H3
InChIKeyKKFUCWDXXOCNGT-UHFFFAOYSA-N
XLogP5.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine 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 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine (CID 8894309) is 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(N4CC=C(c5ccccc5)CC4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is KKFUCWDXXOCNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-28-20-9-7-19(8-10-20)21-15-29-24-22(21)23(25-16-26-24)27-13-11-18(12-14-27)17-5-3-2-4-6-17/h2-11,15-16H,12-14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 399.52 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 8894309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).