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

C22H23N5O2 — CID 109327539

IUPAC2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3C)n2)c1
InChIInChI=1S/C22H23N5O2/c1-14-7-4-5-8-17(14)13-23-21(29)20-11-15(2)24-22(27-20)26-19-10-6-9-18(12-19)25-16(3)28/h4-12H,13H2,1-3H3,(H,23,29)(H,25,28)(H,24,26,27)
InChIKeyUGEIYFXGXLEEIS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.73
Rot. Bonds6

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

2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109327539) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109327539
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3C)n2)c1
InChIInChI=1S/C22H23N5O2/c1-14-7-4-5-8-17(14)13-23-21(29)20-11-15(2)24-22(27-20)26-19-10-6-9-18(12-19)25-16(3)28/h4-12H,13H2,1-3H3,(H,23,29)(H,25,28)(H,24,26,27)
InChIKeyUGEIYFXGXLEEIS-UHFFFAOYSA-N
XLogP3.73
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109327509
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109327539) is 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3C)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is UGEIYFXGXLEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-7-4-5-8-17(14)13-23-21(29)20-11-15(2)24-22(27-20)26-19-10-6-9-18(12-19)25-16(3)28/h4-12H,13H2,1-3H3,(H,23,29)(H,25,28)(H,24,26,27).
What are the key properties of 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).