2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109315353

IUPAC2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nccc(C(=O)Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H21N5O2/c1-13-6-4-7-14(2)19(13)26-20(28)18-10-11-22-21(25-18)24-17-9-5-8-16(12-17)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,26,28)(H,22,24,25)
InChIKeyQMHMCDNEOODSCL-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315353) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315353
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nccc(C(=O)Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H21N5O2/c1-13-6-4-7-14(2)19(13)26-20(28)18-10-11-22-21(25-18)24-17-9-5-8-16(12-17)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,26,28)(H,22,24,25)
InChIKeyQMHMCDNEOODSCL-UHFFFAOYSA-N
XLogP4.05
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315373
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315353) is 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nccc(C(=O)Nc3c(C)cccc3C)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QMHMCDNEOODSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-6-4-7-14(2)19(13)26-20(28)18-10-11-22-21(25-18)24-17-9-5-8-16(12-17)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,26,28)(H,22,24,25).
What are the key properties of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).