2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide

C21H22N4O2 — CID 53201906

IUPAC2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyORIHPNPKGSKJEP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 53201906) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID53201906
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyORIHPNPKGSKJEP-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide (CID 53201906) is 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ORIHPNPKGSKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).