N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide

C20H21N5O2S — CID 143572370

IUPACN-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide
SMILES[H]/N=C/c1ccccc1-c1nc(N2CCOCC2)c2sc(CN(C)C=O)cc2n1
InChIInChI=1S/C20H21N5O2S/c1-24(13-26)12-15-10-17-18(28-15)20(25-6-8-27-9-7-25)23-19(22-17)16-5-3-2-4-14(16)11-21/h2-5,10-11,13,21H,6-9,12H2,1H3/b21-11+
InChIKeyDNMXUHDOBAZXCO-SRZZPIQSSA-N
MW395.49 g/mol
LogP2.78
Rot. Bonds6

About N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide

N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide (PubChem CID 143572370) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide
PubChem CID143572370
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide
SMILES[H]/N=C/c1ccccc1-c1nc(N2CCOCC2)c2sc(CN(C)C=O)cc2n1
InChIInChI=1S/C20H21N5O2S/c1-24(13-26)12-15-10-17-18(28-15)20(25-6-8-27-9-7-25)23-19(22-17)16-5-3-2-4-14(16)11-21/h2-5,10-11,13,21H,6-9,12H2,1H3/b21-11+
InChIKeyDNMXUHDOBAZXCO-SRZZPIQSSA-N
XLogP2.78
TPSA82.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-hydroxy-N-methylacetamide
CID 130241822
N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide
CID 130241708
2-methanimidoyl-3-[4-morpholin-4-yl-6-[(4-morpholin-4-ylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]aniline
CID 143572141
ethyl 4-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carboxylate
CID 143572047
3-[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-piperazin-1-ylpropan-1-one
CID 143572398
N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 130242036
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 67189129
3-[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 130241193
N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide
CID 58441410
3-[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-ethylbenzamide
CID 130241905
N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 58234054
4-[(E)-5-(4-ethylpiperazin-1-yl)pent-1-enyl]-2-(2-methanimidoylphenyl)-6-morpholin-4-ylpyrimidine-5-thiol
CID 137228885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide?
The IUPAC name of N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide (CID 143572370) is N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide.
What is the SMILES notation for N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide?
The canonical SMILES for N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide is [H]/N=C/c1ccccc1-c1nc(N2CCOCC2)c2sc(CN(C)C=O)cc2n1.
What is the InChIKey of N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide?
The InChIKey is DNMXUHDOBAZXCO-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-24(13-26)12-15-10-17-18(28-15)20(25-6-8-27-9-7-25)23-19(22-17)16-5-3-2-4-14(16)11-21/h2-5,10-11,13,21H,6-9,12H2,1H3/b21-11+.
What are the key properties of N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide?
N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide has a molecular weight of 395.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide is sourced from PubChem (CID 143572370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).