1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide

C24H31N7O4S — CID 90859088

IUPAC1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)c3sc(CCN4CCC(C(N)=O)CC4)cc3n2)c(OC)n1
InChIInChI=1S/C24H31N7O4S/c1-33-23-17(14-26-24(29-23)34-2)21-27-18-13-16(5-8-30-6-3-15(4-7-30)20(25)32)36-19(18)22(28-21)31-9-11-35-12-10-31/h13-15H,3-12H2,1-2H3,(H2,25,32)
InChIKeyJWWBLGBOXUJAAS-UHFFFAOYSA-N
MW513.62 g/mol
LogP1.74
Rot. Bonds8

About 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide

1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide (PubChem CID 90859088) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide
PubChem CID90859088
Molecular FormulaC24H31N7O4S
Molecular Weight513.62 g/mol
Exact Mass513.22
IUPAC Name1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)c3sc(CCN4CCC(C(N)=O)CC4)cc3n2)c(OC)n1
InChIInChI=1S/C24H31N7O4S/c1-33-23-17(14-26-24(29-23)34-2)21-27-18-13-16(5-8-30-6-3-15(4-7-30)20(25)32)36-19(18)22(28-21)31-9-11-35-12-10-31/h13-15H,3-12H2,1-2H3,(H2,25,32)
InChIKeyJWWBLGBOXUJAAS-UHFFFAOYSA-N
XLogP1.74
TPSA128.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide 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 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide (CID 90859088) is 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide is COc1ncc(-c2nc(N3CCOCC3)c3sc(CCN4CCC(C(N)=O)CC4)cc3n2)c(OC)n1.
What is the InChIKey of 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is JWWBLGBOXUJAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-33-23-17(14-26-24(29-23)34-2)21-27-18-13-16(5-8-30-6-3-15(4-7-30)20(25)32)36-19(18)22(28-21)31-9-11-35-12-10-31/h13-15H,3-12H2,1-2H3,(H2,25,32).
What are the key properties of 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide?
1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90859088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).