N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide

C20H23N5OS — CID 16584145

IUPACN-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)c(C)c1
InChIInChI=1S/C20H23N5OS/c1-10-7-8-16(11(2)9-10)24-18(26)17-13(4)21-19(22-14(17)5)25-20-23-12(3)15(6)27-20/h7-9H,1-6H3,(H,24,26)(H,21,22,23,25)
InChIKeyWNVRKFRXIBKYAG-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.78
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide

N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 16584145) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID16584145
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)c(C)c1
InChIInChI=1S/C20H23N5OS/c1-10-7-8-16(11(2)9-10)24-18(26)17-13(4)21-19(22-14(17)5)25-20-23-12(3)15(6)27-20/h7-9H,1-6H3,(H,24,26)(H,21,22,23,25)
InChIKeyWNVRKFRXIBKYAG-UHFFFAOYSA-N
XLogP4.78
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
CID 16584144
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108529987
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-methylbenzenecarbothioamide
CID 107928676
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide (CID 16584145) is N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is WNVRKFRXIBKYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-10-7-8-16(11(2)9-10)24-18(26)17-13(4)21-19(22-14(17)5)25-20-23-12(3)15(6)27-20/h7-9H,1-6H3,(H,24,26)(H,21,22,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 16584145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).