N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109266715

IUPACN-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3OC(C)C)nc2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-19(20)26-22-23-12-17(13-24-22)21(27)25-18-10-9-15(3)16(4)11-18/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyUDJXGDZAUVWIBA-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.88
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide

N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide (PubChem CID 109266715) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
PubChem CID109266715
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3OC(C)C)nc2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-19(20)26-22-23-12-17(13-24-22)21(27)25-18-10-9-15(3)16(4)11-18/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyUDJXGDZAUVWIBA-UHFFFAOYSA-N
XLogP4.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082
N-(5-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269010
N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide (CID 109266715) is N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3OC(C)C)nc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The InChIKey is UDJXGDZAUVWIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-19(20)26-22-23-12-17(13-24-22)21(27)25-18-10-9-15(3)16(4)11-18/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).