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

C17H11ClN4OS2 — CID 46883108

IUPAC(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)s1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C17H11ClN4OS2/c18-13-4-3-12(25-13)15(23)14-16-11(5-7-24-16)21-17(22-14)20-9-10-2-1-6-19-8-10/h1-8H,9H2,(H,20,21,22)
InChIKeyGOAWFLXHUPCGQK-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.64
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883108) has the molecular formula C17H11ClN4OS2 and a molecular weight of 386.89 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883108
Molecular FormulaC17H11ClN4OS2
Molecular Weight386.89 g/mol
Exact Mass386.01
IUPAC Name(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)s1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C17H11ClN4OS2/c18-13-4-3-12(25-13)15(23)14-16-11(5-7-24-16)21-17(22-14)20-9-10-2-1-6-19-8-10/h1-8H,9H2,(H,20,21,22)
InChIKeyGOAWFLXHUPCGQK-UHFFFAOYSA-N
XLogP4.64
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
[6-chloro-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 46883208
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772561
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772018
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230099
[2-[methyl(pyridin-3-ylmethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 46883074
N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 22674399
[6-bromo-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 59608085
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950
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 (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883108) is (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1ccc(Cl)s1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is GOAWFLXHUPCGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS2/c18-13-4-3-12(25-13)15(23)14-16-11(5-7-24-16)21-17(22-14)20-9-10-2-1-6-19-8-10/h1-8H,9H2,(H,20,21,22).
What are the key properties of (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 386.89 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).