2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C22H23N5O2 — CID 109335973

IUPAC2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-13-8-14(2)10-19(9-13)25-21(29)20-11-15(3)23-22(27-20)26-18-7-5-6-17(12-18)24-16(4)28/h5-12H,1-4H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyFPWYIMTVFGSBFS-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.36
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335973) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335973
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C22H23N5O2/c1-13-8-14(2)10-19(9-13)25-21(29)20-11-15(3)23-22(27-20)26-18-7-5-6-17(12-18)24-16(4)28/h5-12H,1-4H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyFPWYIMTVFGSBFS-UHFFFAOYSA-N
XLogP4.36
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109334985
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335973) is 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)Nc3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FPWYIMTVFGSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-8-14(2)10-19(9-13)25-21(29)20-11-15(3)23-22(27-20)26-18-7-5-6-17(12-18)24-16(4)28/h5-12H,1-4H3,(H,24,28)(H,25,29)(H,23,26,27).
What are the key properties of 2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.36, 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-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).