6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 112848448

IUPAC6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H21N5O2/c1-13-7-9-16(10-8-13)26-21(28)19-12-20(23-14(2)22-19)25-18-6-4-5-17(11-18)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyQDMMIBUTUUBYON-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.05
Rot. Bonds5

About 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 112848448) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID112848448
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H21N5O2/c1-13-7-9-16(10-8-13)26-21(28)19-12-20(23-14(2)22-19)25-18-6-4-5-17(11-18)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyQDMMIBUTUUBYON-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

6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 112848448) is 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QDMMIBUTUUBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-7-9-16(10-8-13)26-21(28)19-12-20(23-14(2)22-19)25-18-6-4-5-17(11-18)24-15(3)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25).
What are the key properties of 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)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 6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).