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

C18H14N4OS2 — CID 46883043

IUPAC(5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C18H14N4OS2/c1-11-4-5-14(25-11)16(23)15-17-13(6-8-24-17)21-18(22-15)20-10-12-3-2-7-19-9-12/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyKGXPCXWPSGPYLH-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.30
Rot. Bonds5

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

(5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883043) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883043
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name(5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C18H14N4OS2/c1-11-4-5-14(25-11)16(23)15-17-13(6-8-24-17)21-18(22-15)20-10-12-3-2-7-19-9-12/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyKGXPCXWPSGPYLH-UHFFFAOYSA-N
XLogP4.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883043) is (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is KGXPCXWPSGPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-11-4-5-14(25-11)16(23)15-17-13(6-8-24-17)21-18(22-15)20-10-12-3-2-7-19-9-12/h2-9H,10H2,1H3,(H,20,21,22).
What are the key properties of (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).