2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

C19H21FN4O2S — CID 50844448

IUPAC2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC)c1nc2ccsc2c(=O)n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c1-3-23(4-2)19-22-15-9-10-27-17(15)18(26)24(19)12-16(25)21-11-13-5-7-14(20)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,21,25)
InChIKeyXIEYZSKDMIVVBW-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 50844448) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID50844448
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC)c1nc2ccsc2c(=O)n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c1-3-23(4-2)19-22-15-9-10-27-17(15)18(26)24(19)12-16(25)21-11-13-5-7-14(20)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,21,25)
InChIKeyXIEYZSKDMIVVBW-UHFFFAOYSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 50844448) is 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC)c1nc2ccsc2c(=O)n1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XIEYZSKDMIVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-3-23(4-2)19-22-15-9-10-27-17(15)18(26)24(19)12-16(25)21-11-13-5-7-14(20)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50844448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).