2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C20H23N5O2S — CID 133407503

IUPAC2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc2c(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ncnc2s1
InChIInChI=1S/C20H23N5O2S/c1-14-11-17-19(21-13-22-20(17)28-14)24(2)12-18(26)23-15-3-5-16(6-4-15)25-7-9-27-10-8-25/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyHYZDXGNZJVYSGT-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.91
Rot. Bonds5

About 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 133407503) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID133407503
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc2c(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ncnc2s1
InChIInChI=1S/C20H23N5O2S/c1-14-11-17-19(21-13-22-20(17)28-14)24(2)12-18(26)23-15-3-5-16(6-4-15)25-7-9-27-10-8-25/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyHYZDXGNZJVYSGT-UHFFFAOYSA-N
XLogP2.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133447108
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 71915179
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
N-(4-morpholin-4-ylphenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2124706
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55378087
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 133407503) is 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cc2c(N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ncnc2s1.
What is the InChIKey of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is HYZDXGNZJVYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-11-17-19(21-13-22-20(17)28-14)24(2)12-18(26)23-15-3-5-16(6-4-15)25-7-9-27-10-8-25/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 133407503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).