N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide

C20H19N3O3S — CID 20913648

IUPACN-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(SC)nc2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S/c1-25-14-9-10-17(26-2)16(11-14)22-19(24)15-12-21-20(27-3)23-18(15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,24)
InChIKeyZLYBIFHWVRSLBQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.14
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 20913648) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
PubChem CID20913648
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(SC)nc2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S/c1-25-14-9-10-17(26-2)16(11-14)22-19(24)15-12-21-20(27-3)23-18(15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,24)
InChIKeyZLYBIFHWVRSLBQ-UHFFFAOYSA-N
XLogP4.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858718
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)methanone
CID 20913696
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
6-amino-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62241119
(2R)-N-(2,5-dimethoxyphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345655

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide (CID 20913648) is N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(SC)nc2-c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is ZLYBIFHWVRSLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-14-9-10-17(26-2)16(11-14)22-19(24)15-12-21-20(27-3)23-18(15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).