N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide

C22H21N7O2S — CID 59829363

IUPACN-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide
SMILESNc1ncc(-c2nc(N3CCOC(CNC(=O)c4ccccc4)C3)c3sccc3n2)cn1
InChIInChI=1S/C22H21N7O2S/c23-22-25-10-15(11-26-22)19-27-17-6-9-32-18(17)20(28-19)29-7-8-31-16(13-29)12-24-21(30)14-4-2-1-3-5-14/h1-6,9-11,16H,7-8,12-13H2,(H,24,30)(H2,23,25,26)
InChIKeyRSTQJYIWMBHIFA-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.37
Rot. Bonds5

About N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide

N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide (PubChem CID 59829363) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide
PubChem CID59829363
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC NameN-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide
SMILESNc1ncc(-c2nc(N3CCOC(CNC(=O)c4ccccc4)C3)c3sccc3n2)cn1
InChIInChI=1S/C22H21N7O2S/c23-22-25-10-15(11-26-22)19-27-17-6-9-32-18(17)20(28-19)29-7-8-31-16(13-29)12-24-21(30)14-4-2-1-3-5-14/h1-6,9-11,16H,7-8,12-13H2,(H,24,30)(H2,23,25,26)
InChIKeyRSTQJYIWMBHIFA-UHFFFAOYSA-N
XLogP2.37
TPSA119.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide (CID 59829363) is N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide is Nc1ncc(-c2nc(N3CCOC(CNC(=O)c4ccccc4)C3)c3sccc3n2)cn1.
What is the InChIKey of N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide?
The InChIKey is RSTQJYIWMBHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c23-22-25-10-15(11-26-22)19-27-17-6-9-32-18(17)20(28-19)29-7-8-31-16(13-29)12-24-21(30)14-4-2-1-3-5-14/h1-6,9-11,16H,7-8,12-13H2,(H,24,30)(H2,23,25,26).
What are the key properties of N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide?
N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide has a molecular weight of 447.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 59829363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).