4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide

C18H19N5O2S — CID 164585066

IUPAC4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOC1CCC(Nc2nc(C(=O)Nc3ccccn3)nc3sccc23)C1
InChIInChI=1S/C18H19N5O2S/c1-25-12-6-5-11(10-12)20-15-13-7-9-26-18(13)23-16(22-15)17(24)21-14-4-2-3-8-19-14/h2-4,7-9,11-12H,5-6,10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyYHUYSTPHJSXEQM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide

4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 164585066) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID164585066
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOC1CCC(Nc2nc(C(=O)Nc3ccccn3)nc3sccc23)C1
InChIInChI=1S/C18H19N5O2S/c1-25-12-6-5-11(10-12)20-15-13-7-9-26-18(13)23-16(22-15)17(24)21-14-4-2-3-8-19-14/h2-4,7-9,11-12H,5-6,10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyYHUYSTPHJSXEQM-UHFFFAOYSA-N
XLogP3.32
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-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 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide (CID 164585066) is 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide is COC1CCC(Nc2nc(C(=O)Nc3ccccn3)nc3sccc23)C1.
What is the InChIKey of 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is YHUYSTPHJSXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-12-6-5-11(10-12)20-15-13-7-9-26-18(13)23-16(22-15)17(24)21-14-4-2-3-8-19-14/h2-4,7-9,11-12H,5-6,10H2,1H3,(H,19,21,24)(H,20,22,23).
What are the key properties of 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide?
4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 164585066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).