6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C22H22N4O2 — CID 112849053

IUPAC6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-13-8-9-19(10-14(13)2)26-22(28)20-12-21(24-16(4)23-20)25-18-7-5-6-17(11-18)15(3)27/h5-12H,1-4H3,(H,26,28)(H,23,24,25)
InChIKeyDSFZZRWJBIQWOE-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.60
Rot. Bonds5

About 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849053) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849053
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-13-8-9-19(10-14(13)2)26-22(28)20-12-21(24-16(4)23-20)25-18-7-5-6-17(11-18)15(3)27/h5-12H,1-4H3,(H,26,28)(H,23,24,25)
InChIKeyDSFZZRWJBIQWOE-UHFFFAOYSA-N
XLogP4.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
methyl 3-[[6-(3-chloroanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112850075
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112850176
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581
6-(3-acetylanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373601
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 112849053) is 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(C)n2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DSFZZRWJBIQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-8-9-19(10-14(13)2)26-22(28)20-12-21(24-16(4)23-20)25-18-7-5-6-17(11-18)15(3)27/h5-12H,1-4H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).