2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide

C23H23N5O2S — CID 16553268

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H23N5O2S/c1-14-15(2)31-23-20(14)22(26-21(27-23)16-6-5-11-24-12-16)28(3)13-19(29)25-17-7-9-18(30-4)10-8-17/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyWTHFHLRDZNFDOV-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.45
Rot. Bonds6

About 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 16553268) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID16553268
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H23N5O2S/c1-14-15(2)31-23-20(14)22(26-21(27-23)16-6-5-11-24-12-16)28(3)13-19(29)25-17-7-9-18(30-4)10-8-17/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyWTHFHLRDZNFDOV-UHFFFAOYSA-N
XLogP4.45
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide (CID 16553268) is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is WTHFHLRDZNFDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-15(2)31-23-20(14)22(26-21(27-23)16-6-5-11-24-12-16)28(3)13-19(29)25-17-7-9-18(30-4)10-8-17/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 433.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16553268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).