N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C21H19N5OS — CID 25230099

IUPACN-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C21H19N5OS/c27-20(23-11-8-15-5-2-1-3-6-15)18-19-17(9-12-28-19)25-21(26-18)24-14-16-7-4-10-22-13-16/h1-7,9-10,12-13H,8,11,14H2,(H,23,27)(H,24,25,26)
InChIKeyITWBQEDGUGJKMK-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.67
Rot. Bonds7

About N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25230099) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25230099
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C21H19N5OS/c27-20(23-11-8-15-5-2-1-3-6-15)18-19-17(9-12-28-19)25-21(26-18)24-14-16-7-4-10-22-13-16/h1-7,9-10,12-13H,8,11,14H2,(H,23,27)(H,24,25,26)
InChIKeyITWBQEDGUGJKMK-UHFFFAOYSA-N
XLogP3.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772018
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772561
methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(3-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150785059
[6-chloro-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 46883208
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540083

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25230099) is N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is ITWBQEDGUGJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c27-20(23-11-8-15-5-2-1-3-6-15)18-19-17(9-12-28-19)25-21(26-18)24-14-16-7-4-10-22-13-16/h1-7,9-10,12-13H,8,11,14H2,(H,23,27)(H,24,25,26).
What are the key properties of N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25230099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).