N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C18H19FN4OS — CID 9195432

IUPACN-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(N(C)CC(=O)Nc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H19FN4OS/c1-10-11(2)25-18-16(10)17(20-12(3)21-18)23(4)9-15(24)22-14-7-5-13(19)6-8-14/h5-8H,9H2,1-4H3,(H,22,24)
InChIKeyRTSOMLSRSNMFGZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.83
Rot. Bonds4

About N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9195432) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9195432
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(N(C)CC(=O)Nc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H19FN4OS/c1-10-11(2)25-18-16(10)17(20-12(3)21-18)23(4)9-15(24)22-14-7-5-13(19)6-8-14/h5-8H,9H2,1-4H3,(H,22,24)
InChIKeyRTSOMLSRSNMFGZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[methyl-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide
CID 4821403
2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28847412
N-(3,5-dimethoxyphenyl)-2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 133485659
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 18269123
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
N-cyclopropyl-2-[(5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 27632112
N-tert-butyl-2-[ethyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9113082
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362656
N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9402936
N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 9110827
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
N-(3,4-difluorophenyl)-2-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide
CID 26560482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9195432) is N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is Cc1nc(N(C)CC(=O)Nc2ccc(F)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is RTSOMLSRSNMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-10-11(2)25-18-16(10)17(20-12(3)21-18)23(4)9-15(24)22-14-7-5-13(19)6-8-14/h5-8H,9H2,1-4H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9195432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).