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

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

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Related Compounds

5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
(3-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 25109378
mTOR inhibitor-13
CID 46227572
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46227579
N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 46886361
N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 68277541
US10100058, Example 211
CID 134539877
[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholino-methanone
CID 76310737
5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 16036800
N-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 25109494
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181

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).