3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

C23H24N4OS — CID 70966143

IUPAC3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCNc3ncnc4c3SCC4C)cc2)c1
InChIInChI=1S/C23H24N4OS/c1-15-4-3-5-18(12-15)23(28)27-19-8-6-17(7-9-19)10-11-24-22-21-20(25-14-26-22)16(2)13-29-21/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGTQVTXSYYQBNHA-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.90
Rot. Bonds6

About 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (PubChem CID 70966143) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
PubChem CID70966143
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCNc3ncnc4c3SCC4C)cc2)c1
InChIInChI=1S/C23H24N4OS/c1-15-4-3-5-18(12-15)23(28)27-19-8-6-17(7-9-19)10-11-24-22-21-20(25-14-26-22)16(2)13-29-21/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGTQVTXSYYQBNHA-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide with MolForge

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Related Compounds

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CID 109351026
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CID 87724838
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (CID 70966143) is 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(CCNc3ncnc4c3SCC4C)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is GTQVTXSYYQBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-15-4-3-5-18(12-15)23(28)27-19-8-6-17(7-9-19)10-11-24-22-21-20(25-14-26-22)16(2)13-29-21/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-[(7-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 70966143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).