2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

C18H20N4O2S2 — CID 17425275

IUPAC2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1
InChIInChI=1S/C18H20N4O2S2/c1-9-6-5-7-13(19-9)20-16(23)12(4)25-8-14-21-17(24)15-10(2)11(3)26-18(15)22-14/h5-7,12H,8H2,1-4H3,(H,19,20,23)(H,21,22,24)
InChIKeySVNZSFRXSWDBLJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.57
Rot. Bonds5

About 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 17425275) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID17425275
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1
InChIInChI=1S/C18H20N4O2S2/c1-9-6-5-7-13(19-9)20-16(23)12(4)25-8-14-21-17(24)15-10(2)11(3)26-18(15)22-14/h5-7,12H,8H2,1-4H3,(H,19,20,23)(H,21,22,24)
InChIKeySVNZSFRXSWDBLJ-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (CID 17425275) is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)C(C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1.
What is the InChIKey of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is SVNZSFRXSWDBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-9-6-5-7-13(19-9)20-16(23)12(4)25-8-14-21-17(24)15-10(2)11(3)26-18(15)22-14/h5-7,12H,8H2,1-4H3,(H,19,20,23)(H,21,22,24).
What are the key properties of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 388.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 17425275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).