1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C19H27N5OS — CID 2548148

IUPAC1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1sc2nc(CN3CCCC3)nc(N3CCC(C(N)=O)CC3)c2c1C
InChIInChI=1S/C19H27N5OS/c1-12-13(2)26-19-16(12)18(24-9-5-14(6-10-24)17(20)25)21-15(22-19)11-23-7-3-4-8-23/h14H,3-11H2,1-2H3,(H2,20,25)
InChIKeyNYTKLIYWASXJRJ-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.61
Rot. Bonds4

About 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 2548148) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID2548148
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1sc2nc(CN3CCCC3)nc(N3CCC(C(N)=O)CC3)c2c1C
InChIInChI=1S/C19H27N5OS/c1-12-13(2)26-19-16(12)18(24-9-5-14(6-10-24)17(20)25)21-15(22-19)11-23-7-3-4-8-23/h14H,3-11H2,1-2H3,(H2,20,25)
InChIKeyNYTKLIYWASXJRJ-UHFFFAOYSA-N
XLogP2.61
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]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-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 2548148) is 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is Cc1sc2nc(CN3CCCC3)nc(N3CCC(C(N)=O)CC3)c2c1C.
What is the InChIKey of 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NYTKLIYWASXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-12-13(2)26-19-16(12)18(24-9-5-14(6-10-24)17(20)25)21-15(22-19)11-23-7-3-4-8-23/h14H,3-11H2,1-2H3,(H2,20,25).
What are the key properties of 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).