N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide

C17H19N5O3S — CID 46942443

IUPACN-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCOc1ncccc1-c1cc2nc(NCCNC(C)=O)n(C)c(=O)c2s1
InChIInChI=1S/C17H19N5O3S/c1-10(23)18-7-8-20-17-21-12-9-13(26-14(12)16(24)22(17)2)11-5-4-6-19-15(11)25-3/h4-6,9H,7-8H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyVOKSIMQAEFERLJ-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.61
Rot. Bonds6

About N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 46942443) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID46942443
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCOc1ncccc1-c1cc2nc(NCCNC(C)=O)n(C)c(=O)c2s1
InChIInChI=1S/C17H19N5O3S/c1-10(23)18-7-8-20-17-21-12-9-13(26-14(12)16(24)22(17)2)11-5-4-6-19-15(11)25-3/h4-6,9H,7-8H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyVOKSIMQAEFERLJ-UHFFFAOYSA-N
XLogP1.61
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide 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-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide (CID 46942443) is N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide is COc1ncccc1-c1cc2nc(NCCNC(C)=O)n(C)c(=O)c2s1.
What is the InChIKey of N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is VOKSIMQAEFERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-10(23)18-7-8-20-17-21-12-9-13(26-14(12)16(24)22(17)2)11-5-4-6-19-15(11)25-3/h4-6,9H,7-8H2,1-3H3,(H,18,23)(H,20,21).
What are the key properties of N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 46942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).