7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine

C28H32N4O2S — CID 122648794

IUPAC7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H32N4O2S/c1-17(2)34-24-15-20(19-11-13-29-14-12-19)9-10-22(24)31-28-30-16-25-27(32-28)26(18(3)35-25)21-7-5-6-8-23(21)33-4/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,30,31,32)
InChIKeyROVQUGDWWCWTOC-UHFFFAOYSA-N
MW488.66 g/mol
LogP6.67
Rot. Bonds7

About 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine

7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 122648794) has the molecular formula C28H32N4O2S and a molecular weight of 488.66 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID122648794
Molecular FormulaC28H32N4O2S
Molecular Weight488.66 g/mol
Exact Mass488.22
IUPAC Name7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H32N4O2S/c1-17(2)34-24-15-20(19-11-13-29-14-12-19)9-10-22(24)31-28-30-16-25-27(32-28)26(18(3)35-25)21-7-5-6-8-23(21)33-4/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,30,31,32)
InChIKeyROVQUGDWWCWTOC-UHFFFAOYSA-N
XLogP6.67
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine (CID 122648794) is 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine is COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)cc3OC(C)C)nc12.
What is the InChIKey of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is ROVQUGDWWCWTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S/c1-17(2)34-24-15-20(19-11-13-29-14-12-19)9-10-22(24)31-28-30-16-25-27(32-28)26(18(3)35-25)21-7-5-6-8-23(21)33-4/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,30,31,32).
What are the key properties of 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine?
7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 488.66 g/mol, XLogP of 6.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 122648794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).