5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C18H17ClN4OS — CID 166211068

IUPAC5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)CCC1=O
InChIInChI=1S/C18H17ClN4OS/c1-23-8-13(6-7-15(23)24)22-17-16-14(9-25-18(16)21-10-20-17)11-2-4-12(19)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,20,21,22)
InChIKeySRPICJPAHPSWEU-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.04
Rot. Bonds3

About 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 166211068) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID166211068
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)CCC1=O
InChIInChI=1S/C18H17ClN4OS/c1-23-8-13(6-7-15(23)24)22-17-16-14(9-25-18(16)21-10-20-17)11-2-4-12(19)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,20,21,22)
InChIKeySRPICJPAHPSWEU-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one with MolForge

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Related Compounds

1-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 39967644
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
CID 732028
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 79728769
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
ethyl 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 110496287
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 166211068) is 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)CCC1=O.
What is the InChIKey of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is SRPICJPAHPSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-23-8-13(6-7-15(23)24)22-17-16-14(9-25-18(16)21-10-20-17)11-2-4-12(19)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,20,21,22).
What are the key properties of 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 372.88 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 166211068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).