4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

C14H14ClN3O3S — CID 18858718

IUPAC4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(SC)nc2Cl)c1
InChIInChI=1S/C14H14ClN3O3S/c1-20-8-4-5-11(21-2)10(6-8)17-13(19)9-7-16-14(22-3)18-12(9)15/h4-7H,1-3H3,(H,17,19)
InChIKeyDMZOUAOXZHZBKI-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.12
Rot. Bonds5

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

4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 18858718) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID18858718
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(SC)nc2Cl)c1
InChIInChI=1S/C14H14ClN3O3S/c1-20-8-4-5-11(21-2)10(6-8)17-13(19)9-7-16-14(22-3)18-12(9)15/h4-7H,1-3H3,(H,17,19)
InChIKeyDMZOUAOXZHZBKI-UHFFFAOYSA-N
XLogP3.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
4-chloro-N'-(2-methoxybenzoyl)-2-methylsulfanylpyrimidine-5-carbohydrazide
CID 18858823
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
CID 46692547
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
4-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)pyrimidine-5-carboxamide
CID 155195547
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 18858718) is 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(SC)nc2Cl)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DMZOUAOXZHZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-20-8-4-5-11(21-2)10(6-8)17-13(19)9-7-16-14(22-3)18-12(9)15/h4-7H,1-3H3,(H,17,19).
What are the key properties of 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 18858718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).