2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C18H19FN4OS2 — CID 55578363

IUPAC2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1sc2nc(SCC(=O)N(C)Cc3ccc(F)cc3)nc(N)c2c1C
InChIInChI=1S/C18H19FN4OS2/c1-10-11(2)26-17-15(10)16(20)21-18(22-17)25-9-14(24)23(3)8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyVCTDNCHSXCJCLL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 55578363) has the molecular formula C18H19FN4OS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID55578363
Molecular FormulaC18H19FN4OS2
Molecular Weight390.51 g/mol
Exact Mass390.10
IUPAC Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1sc2nc(SCC(=O)N(C)Cc3ccc(F)cc3)nc(N)c2c1C
InChIInChI=1S/C18H19FN4OS2/c1-10-11(2)26-17-15(10)16(20)21-18(22-17)25-9-14(24)23(3)8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyVCTDNCHSXCJCLL-UHFFFAOYSA-N
XLogP3.78
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 55578363) is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide is Cc1sc2nc(SCC(=O)N(C)Cc3ccc(F)cc3)nc(N)c2c1C.
What is the InChIKey of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is VCTDNCHSXCJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS2/c1-10-11(2)26-17-15(10)16(20)21-18(22-17)25-9-14(24)23(3)8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 390.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55578363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).