5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide

C28H30N6O2S — CID 143514876

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=C(Nc1ccc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)cc1)c1ccccc1
InChIInChI=1S/C28H30N6O2S/c1-19-24-26(33-23-10-8-22(9-11-23)32-20(2)21-6-4-3-5-7-21)30-18-31-28(24)37-25(19)27(35)29-12-13-34-14-16-36-17-15-34/h3-11,18,32H,2,12-17H2,1H3,(H,29,35)(H,30,31,33)
InChIKeyQABDRNQAXDIUOY-UHFFFAOYSA-N
MW514.66 g/mol
LogP4.89
Rot. Bonds9

About 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143514876) has the molecular formula C28H30N6O2S and a molecular weight of 514.66 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143514876
Molecular FormulaC28H30N6O2S
Molecular Weight514.66 g/mol
Exact Mass514.22
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=C(Nc1ccc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)cc1)c1ccccc1
InChIInChI=1S/C28H30N6O2S/c1-19-24-26(33-23-10-8-22(9-11-23)32-20(2)21-6-4-3-5-7-21)30-18-31-28(24)37-25(19)27(35)29-12-13-34-14-16-36-17-15-34/h3-11,18,32H,2,12-17H2,1H3,(H,29,35)(H,30,31,33)
InChIKeyQABDRNQAXDIUOY-UHFFFAOYSA-N
XLogP4.89
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.66
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344630
3-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496515
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344814
N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45246869
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855759
5-methyl-4-(4-methylpiperazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344718
2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4602022
4-[4-(carboxymethyl)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855407
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4075714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 143514876) is 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide is C=C(Nc1ccc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c23)cc1)c1ccccc1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QABDRNQAXDIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2S/c1-19-24-26(33-23-10-8-22(9-11-23)32-20(2)21-6-4-3-5-7-21)30-18-31-28(24)37-25(19)27(35)29-12-13-34-14-16-36-17-15-34/h3-11,18,32H,2,12-17H2,1H3,(H,29,35)(H,30,31,33).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 514.66 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143514876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).