N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C21H20N4O3 — CID 112850552

IUPACN-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)nc(C)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)15-4-6-17(7-5-15)25-21(27)19-12-20(23-14(2)22-19)24-16-8-10-18(28-3)11-9-16/h4-12H,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyUAVGWBNFMSVYKM-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.99
Rot. Bonds6

About N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850552) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850552
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)nc(C)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)15-4-6-17(7-5-15)25-21(27)19-12-20(23-14(2)22-19)24-16-8-10-18(28-3)11-9-16/h4-12H,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyUAVGWBNFMSVYKM-UHFFFAOYSA-N
XLogP3.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112850552) is N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UAVGWBNFMSVYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(26)15-4-6-17(7-5-15)25-21(27)19-12-20(23-14(2)22-19)24-16-8-10-18(28-3)11-9-16/h4-12H,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).