2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C22H23N5OS — CID 68622417

IUPAC2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(24-14-17-10-6-7-11-23-17)19-18(15-29-21(19)26-22)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,24,25,26)
InChIKeyTUCRIHQIHDNKCI-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.31
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68622417) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68622417
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(24-14-17-10-6-7-11-23-17)19-18(15-29-21(19)26-22)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,24,25,26)
InChIKeyTUCRIHQIHDNKCI-UHFFFAOYSA-N
XLogP4.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 68622417) is 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CN(C)CCOc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TUCRIHQIHDNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-27(2)12-13-28-22-25-20(24-14-17-10-6-7-11-23-17)19-18(15-29-21(19)26-22)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 405.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68622417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).