N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide

C25H25FN6O2S — CID 150353293

IUPACN-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3cc(C)sc23)cc1
InChIInChI=1S/C25H25FN6O2S/c1-14-10-21-23(35-14)22(32-25(31-21)29-15(2)18-11-19(26)13-27-12-18)24(34)28-9-8-17-4-6-20(7-5-17)30-16(3)33/h4-7,10-13,15H,8-9H2,1-3H3,(H,28,34)(H,30,33)(H,29,31,32)/t15-/m0/s1
InChIKeyGUEQILBLWJXYDP-HNNXBMFYSA-N
MW492.58 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide

N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 150353293) has the molecular formula C25H25FN6O2S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID150353293
Molecular FormulaC25H25FN6O2S
Molecular Weight492.58 g/mol
Exact Mass492.17
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3cc(C)sc23)cc1
InChIInChI=1S/C25H25FN6O2S/c1-14-10-21-23(35-14)22(32-25(31-21)29-15(2)18-11-19(26)13-27-12-18)24(34)28-9-8-17-4-6-20(7-5-17)30-16(3)33/h4-7,10-13,15H,8-9H2,1-3H3,(H,28,34)(H,30,33)(H,29,31,32)/t15-/m0/s1
InChIKeyGUEQILBLWJXYDP-HNNXBMFYSA-N
XLogP4.64
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-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-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide (CID 150353293) is N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide is CC(=O)Nc1ccc(CCNC(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3cc(C)sc23)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is GUEQILBLWJXYDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H25FN6O2S/c1-14-10-21-23(35-14)22(32-25(31-21)29-15(2)18-11-19(26)13-27-12-18)24(34)28-9-8-17-4-6-20(7-5-17)30-16(3)33/h4-7,10-13,15H,8-9H2,1-3H3,(H,28,34)(H,30,33)(H,29,31,32)/t15-/m0/s1.
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide?
N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 150353293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).