N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109315105

IUPACN-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H24N4O/c1-5-26(19-8-6-7-15(2)13-19)22-23-12-11-20(25-22)21(27)24-18-10-9-16(3)17(4)14-18/h6-14H,5H2,1-4H3,(H,24,27)
InChIKeyDSDAQYKYQBVKAX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.81
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109315105) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109315105
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H24N4O/c1-5-26(19-8-6-7-15(2)13-19)22-23-12-11-20(25-22)21(27)24-18-10-9-16(3)17(4)14-18/h6-14H,5H2,1-4H3,(H,24,27)
InChIKeyDSDAQYKYQBVKAX-UHFFFAOYSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (CID 109315105) is N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is DSDAQYKYQBVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-26(19-8-6-7-15(2)13-19)22-23-12-11-20(25-22)21(27)24-18-10-9-16(3)17(4)14-18/h6-14H,5H2,1-4H3,(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).