2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide

C21H19N5O2S — CID 162674736

IUPAC2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)CN)cc3)nc12
InChIInChI=1S/C21H19N5O2S/c1-28-17-5-3-2-4-15(17)16-12-29-18-11-23-21(26-20(16)18)25-14-8-6-13(7-9-14)24-19(27)10-22/h2-9,11-12H,10,22H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyYSSRLUNVDUOKSW-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.01
Rot. Bonds6

About 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide

2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 162674736) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID162674736
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)CN)cc3)nc12
InChIInChI=1S/C21H19N5O2S/c1-28-17-5-3-2-4-15(17)16-12-29-18-11-23-21(26-20(16)18)25-14-8-6-13(7-9-14)24-19(27)10-22/h2-9,11-12H,10,22H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyYSSRLUNVDUOKSW-UHFFFAOYSA-N
XLogP4.01
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide (CID 162674736) is 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide is COc1ccccc1-c1csc2cnc(Nc3ccc(NC(=O)CN)cc3)nc12.
What is the InChIKey of 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is YSSRLUNVDUOKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-28-17-5-3-2-4-15(17)16-12-29-18-11-23-21(26-20(16)18)25-14-8-6-13(7-9-14)24-19(27)10-22/h2-9,11-12H,10,22H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide?
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 162674736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).