5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide

C15H16ClN3O3S — CID 24673165

IUPAC5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2nc(SC)ncc2Cl)cc1OC
InChIInChI=1S/C15H16ClN3O3S/c1-8-5-11(21-2)12(22-3)6-10(8)18-14(20)13-9(16)7-17-15(19-13)23-4/h5-7H,1-4H3,(H,18,20)
InChIKeyHWJUFFDMTQLPAJ-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 24673165) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID24673165
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2nc(SC)ncc2Cl)cc1OC
InChIInChI=1S/C15H16ClN3O3S/c1-8-5-11(21-2)12(22-3)6-10(8)18-14(20)13-9(16)7-17-15(19-13)23-4/h5-7H,1-4H3,(H,18,20)
InChIKeyHWJUFFDMTQLPAJ-UHFFFAOYSA-N
XLogP3.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 36860018
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 2983334
5-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 36809648
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 115589930
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
5-chloro-N-[(2,4-dimethylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46590925
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
CID 46692547
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496998
5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide
CID 43067121
5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 43052974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 24673165) is 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide is COc1cc(C)c(NC(=O)c2nc(SC)ncc2Cl)cc1OC.
What is the InChIKey of 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is HWJUFFDMTQLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-8-5-11(21-2)12(22-3)6-10(8)18-14(20)13-9(16)7-17-15(19-13)23-4/h5-7H,1-4H3,(H,18,20).
What are the key properties of 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 24673165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).