N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide

C22H28N8O2S — CID 155519635

IUPACN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C22H28N8O2S/c1-14(31)26-16-3-2-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)28-20(27-18)15-10-24-22(23)25-11-15/h9-11,16H,2-8,12-13H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyMKARVNWOPXYKKW-UHFFFAOYSA-N
MW468.59 g/mol
LogP1.67
Rot. Bonds5

About N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide

N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 155519635) has the molecular formula C22H28N8O2S and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide
PubChem CID155519635
Molecular FormulaC22H28N8O2S
Molecular Weight468.59 g/mol
Exact Mass468.21
IUPAC NameN-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C22H28N8O2S/c1-14(31)26-16-3-2-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)28-20(27-18)15-10-24-22(23)25-11-15/h9-11,16H,2-8,12-13H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyMKARVNWOPXYKKW-UHFFFAOYSA-N
XLogP1.67
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]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-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide (CID 155519635) is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is MKARVNWOPXYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2S/c1-14(31)26-16-3-2-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)28-20(27-18)15-10-24-22(23)25-11-15/h9-11,16H,2-8,12-13H2,1H3,(H,26,31)(H2,23,24,25).
What are the key properties of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide?
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 468.59 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 155519635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).