(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

C20H16N4O2S — CID 46883205

IUPAC(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-15-6-4-14(5-7-15)18(25)17-19-16(8-10-27-19)23-20(24-17)22-12-13-3-2-9-21-11-13/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyUGWBEJYDDMKSAG-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.94
Rot. Bonds6

About (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883205) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883205
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-15-6-4-14(5-7-15)18(25)17-19-16(8-10-27-19)23-20(24-17)22-12-13-3-2-9-21-11-13/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyUGWBEJYDDMKSAG-UHFFFAOYSA-N
XLogP3.94
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883205) is (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is COc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is UGWBEJYDDMKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-15-6-4-14(5-7-15)18(25)17-19-16(8-10-27-19)23-20(24-17)22-12-13-3-2-9-21-11-13/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).