2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide

C20H22N4O2S — CID 138996352

IUPAC2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C20H22N4O2S/c1-21-19(25)14-4-3-5-16(14)24-18-17-15(10-27-20(17)23-11-22-18)12-6-8-13(26-2)9-7-12/h6-11,14,16H,3-5H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPUEIJRHMFLCZJK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.69
Rot. Bonds5

About 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide

2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 138996352) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide
PubChem CID138996352
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C20H22N4O2S/c1-21-19(25)14-4-3-5-16(14)24-18-17-15(10-27-20(17)23-11-22-18)12-6-8-13(26-2)9-7-12/h6-11,14,16H,3-5H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPUEIJRHMFLCZJK-UHFFFAOYSA-N
XLogP3.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide (CID 138996352) is 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCCC1Nc1ncnc2scc(-c3ccc(OC)cc3)c12.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is PUEIJRHMFLCZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-21-19(25)14-4-3-5-16(14)24-18-17-15(10-27-20(17)23-11-22-18)12-6-8-13(26-2)9-7-12/h6-11,14,16H,3-5H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide?
2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 138996352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).