N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C20H31N5OS — CID 119587791

IUPACN-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(CN)CC(C)C)CC3)c2c1C
InChIInChI=1S/C20H31N5OS/c1-12(2)9-16(10-21)24-19(26)15-5-7-25(8-6-15)18-17-13(3)14(4)27-20(17)23-11-22-18/h11-12,15-16H,5-10,21H2,1-4H3,(H,24,26)
InChIKeyICLCPTXEXQDDBR-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.01
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 119587791) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID119587791
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(CN)CC(C)C)CC3)c2c1C
InChIInChI=1S/C20H31N5OS/c1-12(2)9-16(10-21)24-19(26)15-5-7-25(8-6-15)18-17-13(3)14(4)27-20(17)23-11-22-18/h11-12,15-16H,5-10,21H2,1-4H3,(H,24,26)
InChIKeyICLCPTXEXQDDBR-UHFFFAOYSA-N
XLogP3.01
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[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 N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 119587791) is N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NC(CN)CC(C)C)CC3)c2c1C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ICLCPTXEXQDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-12(2)9-16(10-21)24-19(26)15-5-7-25(8-6-15)18-17-13(3)14(4)27-20(17)23-11-22-18/h11-12,15-16H,5-10,21H2,1-4H3,(H,24,26).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).