2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

C23H26N4O — CID 109268042

IUPAC2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C23H26N4O/c1-6-27(20-9-7-8-15(2)12-20)23-24-13-19(14-25-23)22(28)26-21-17(4)10-16(3)11-18(21)5/h7-14H,6H2,1-5H3,(H,26,28)
InChIKeyUAFCPGRDZNQKJM-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.12
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109268042) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109268042
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C23H26N4O/c1-6-27(20-9-7-8-15(2)12-20)23-24-13-19(14-25-23)22(28)26-21-17(4)10-16(3)11-18(21)5/h7-14H,6H2,1-5H3,(H,26,28)
InChIKeyUAFCPGRDZNQKJM-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (CID 109268042) is 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)Nc2c(C)cc(C)cc2C)cn1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is UAFCPGRDZNQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-6-27(20-9-7-8-15(2)12-20)23-24-13-19(14-25-23)22(28)26-21-17(4)10-16(3)11-18(21)5/h7-14H,6H2,1-5H3,(H,26,28).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).