N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C21H21N5O3 — CID 112850553

IUPACN-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)nc(C)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-13-22-19(12-20(23-13)25-15-7-9-18(29-3)10-8-15)21(28)26-17-6-4-5-16(11-17)24-14(2)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyAFMFMYNIFWGNMF-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.75
Rot. Bonds6

About N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850553) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850553
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)nc(C)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-13-22-19(12-20(23-13)25-15-7-9-18(29-3)10-8-15)21(28)26-17-6-4-5-16(11-17)24-14(2)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyAFMFMYNIFWGNMF-UHFFFAOYSA-N
XLogP3.75
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849731
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112850553) is N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3cccc(NC(C)=O)c3)nc(C)n2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AFMFMYNIFWGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-22-19(12-20(23-13)25-15-7-9-18(29-3)10-8-15)21(28)26-17-6-4-5-16(11-17)24-14(2)27/h4-12H,1-3H3,(H,24,27)(H,26,28)(H,22,23,25).
What are the key properties of N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).