2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109266917

IUPAC2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-14(2)17-5-7-19(8-6-17)25-21(27)18-12-23-22(24-13-18)26-20-10-15(3)9-16(4)11-20/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyAKUUHMRQYBFGPF-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.21
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266917) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109266917
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-14(2)17-5-7-19(8-6-17)25-21(27)18-12-23-22(24-13-18)26-20-10-15(3)9-16(4)11-20/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyAKUUHMRQYBFGPF-UHFFFAOYSA-N
XLogP5.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109266917) is 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is AKUUHMRQYBFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14(2)17-5-7-19(8-6-17)25-21(27)18-12-23-22(24-13-18)26-20-10-15(3)9-16(4)11-20/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).