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

C15H17N3O3S — CID 20899657

IUPACN-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(SC)nc2C)c(OC)c1
InChIInChI=1S/C15H17N3O3S/c1-9-11(8-16-15(17-9)22-4)14(19)18-12-6-5-10(20-2)7-13(12)21-3/h5-8H,1-4H3,(H,18,19)
InChIKeyJOVFJCTYSHFITF-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.78
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20899657) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20899657
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(SC)nc2C)c(OC)c1
InChIInChI=1S/C15H17N3O3S/c1-9-11(8-16-15(17-9)22-4)14(19)18-12-6-5-10(20-2)7-13(12)21-3/h5-8H,1-4H3,(H,18,19)
InChIKeyJOVFJCTYSHFITF-UHFFFAOYSA-N
XLogP2.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20899657) is N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(SC)nc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is JOVFJCTYSHFITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-11(8-16-15(17-9)22-4)14(19)18-12-6-5-10(20-2)7-13(12)21-3/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20899657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).