5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C25H27N5O3S — CID 2532215

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3nc(-c4cccnc4)nc(NCCN4CCOCC4)c23)cc1OC
InChIInChI=1S/C25H27N5O3S/c1-31-20-6-5-17(14-21(20)32-2)19-16-34-25-22(19)24(27-8-9-30-10-12-33-13-11-30)28-23(29-25)18-4-3-7-26-15-18/h3-7,14-16H,8-13H2,1-2H3,(H,27,28,29)
InChIKeyBXQSKQNUPLAKMR-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.18
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2532215) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2532215
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3nc(-c4cccnc4)nc(NCCN4CCOCC4)c23)cc1OC
InChIInChI=1S/C25H27N5O3S/c1-31-20-6-5-17(14-21(20)32-2)19-16-34-25-22(19)24(27-8-9-30-10-12-33-13-11-30)28-23(29-25)18-4-3-7-26-15-18/h3-7,14-16H,8-13H2,1-2H3,(H,27,28,29)
InChIKeyBXQSKQNUPLAKMR-UHFFFAOYSA-N
XLogP4.18
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 2532215) is 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3nc(-c4cccnc4)nc(NCCN4CCOCC4)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BXQSKQNUPLAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-31-20-6-5-17(14-21(20)32-2)19-16-34-25-22(19)24(27-8-9-30-10-12-33-13-11-30)28-23(29-25)18-4-3-7-26-15-18/h3-7,14-16H,8-13H2,1-2H3,(H,27,28,29).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 477.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2532215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).