4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide

C26H27N5O2S — CID 162667588

IUPAC4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(C)c3)nc12
InChIInChI=1S/C26H27N5O2S/c1-16-13-18(7-8-19(16)25(32)29-17-9-11-27-12-10-17)30-26-28-14-23-24(31-26)21(15-34-23)20-5-3-4-6-22(20)33-2/h3-8,13-15,17,27H,9-12H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyASCPVWGAFCCXHP-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.90
Rot. Bonds6

About 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide

4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide (PubChem CID 162667588) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide
PubChem CID162667588
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(C)c3)nc12
InChIInChI=1S/C26H27N5O2S/c1-16-13-18(7-8-19(16)25(32)29-17-9-11-27-12-10-17)30-26-28-14-23-24(31-26)21(15-34-23)20-5-3-4-6-22(20)33-2/h3-8,13-15,17,27H,9-12H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyASCPVWGAFCCXHP-UHFFFAOYSA-N
XLogP4.90
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide (CID 162667588) is 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(C)c3)nc12.
What is the InChIKey of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is ASCPVWGAFCCXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-16-13-18(7-8-19(16)25(32)29-17-9-11-27-12-10-17)30-26-28-14-23-24(31-26)21(15-34-23)20-5-3-4-6-22(20)33-2/h3-8,13-15,17,27H,9-12H2,1-2H3,(H,29,32)(H,28,30,31).
What are the key properties of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide?
4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 473.60 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 162667588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).