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

C19H16N4OS2 — CID 46883073

IUPAC(5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-12-4-5-15(26-12)17(24)16-18-14(7-10-25-18)22-19(23-16)21-9-6-13-3-2-8-20-11-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23)
InChIKeyMAZVDJYDWJAHPI-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.34
Rot. Bonds6

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

(5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883073) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883073
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name(5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-12-4-5-15(26-12)17(24)16-18-14(7-10-25-18)22-19(23-16)21-9-6-13-3-2-8-20-11-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23)
InChIKeyMAZVDJYDWJAHPI-UHFFFAOYSA-N
XLogP4.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.34
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-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883073) is (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is Cc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is MAZVDJYDWJAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-4-5-15(26-12)17(24)16-18-14(7-10-25-18)22-19(23-16)21-9-6-13-3-2-8-20-11-13/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23).
What are the key properties of (5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(5-methylthiophen-2-yl)-[2-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 4.34, 6 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-(2-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).