3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide

C23H23N7O2S — CID 52918521

IUPAC3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2csc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C23H23N7O2S/c1-25-22(31)15-4-2-3-14(11-15)17-13-33-20-19(17)28-23(29-21(20)24)27-16-5-6-18(26-12-16)30-7-9-32-10-8-30/h2-6,11-13H,7-10H2,1H3,(H,25,31)(H3,24,27,28,29)
InChIKeyZDHDISRLWFBLRG-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.28
Rot. Bonds5

About 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide

3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide (PubChem CID 52918521) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
PubChem CID52918521
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC Name3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2csc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C23H23N7O2S/c1-25-22(31)15-4-2-3-14(11-15)17-13-33-20-19(17)28-23(29-21(20)24)27-16-5-6-18(26-12-16)30-7-9-32-10-8-30/h2-6,11-13H,7-10H2,1H3,(H,25,31)(H3,24,27,28,29)
InChIKeyZDHDISRLWFBLRG-UHFFFAOYSA-N
XLogP3.28
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The IUPAC name of 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide (CID 52918521) is 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2csc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.
What is the InChIKey of 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The InChIKey is ZDHDISRLWFBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c1-25-22(31)15-4-2-3-14(11-15)17-13-33-20-19(17)28-23(29-21(20)24)27-16-5-6-18(26-12-16)30-7-9-32-10-8-30/h2-6,11-13H,7-10H2,1H3,(H,25,31)(H3,24,27,28,29).
What are the key properties of 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide has a molecular weight of 461.55 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 52918521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).