5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one

C14H15N3OS2 — CID 155808823

IUPAC5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(NCCc3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H15N3OS2/c1-8-9(2)20-13-11(8)12(18)16-14(17-13)15-6-5-10-4-3-7-19-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyWZONKJVQFJEXLW-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.32
Rot. Bonds4

About 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 155808823) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID155808823
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(NCCc3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H15N3OS2/c1-8-9(2)20-13-11(8)12(18)16-14(17-13)15-6-5-10-4-3-7-19-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyWZONKJVQFJEXLW-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 35859244
2-(3-aminopropylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 155816850
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
6-methyl-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 78838459
5,6-dimethyl-2-[1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 16511446
2-[5,6-dimethyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2659769
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 134702117
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
5,6-dimethyl-2-[(E)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8602094
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]-3-methylthiourea
CID 139237256
5,6-dimethyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 62054161

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one (CID 155808823) is 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(NCCc3cccs3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WZONKJVQFJEXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8-9(2)20-13-11(8)12(18)16-14(17-13)15-6-5-10-4-3-7-19-10/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-thiophen-2-ylethylamino)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 155808823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).