N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109268208

IUPACN-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)18-7-5-6-8-19(18)26-20(27)15-13-23-21(24-14-15)25-16-9-11-17(28-4)12-10-16/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyAEOKBCLINUZPGG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109268208) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109268208
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)18-7-5-6-8-19(18)26-20(27)15-13-23-21(24-14-15)25-16-9-11-17(28-4)12-10-16/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyAEOKBCLINUZPGG-UHFFFAOYSA-N
XLogP4.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109163142
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(2-tert-butylphenyl)-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268205
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
2-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109268216
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
N-(2,5-dimethylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109266557
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849731
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide (CID 109268208) is N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is AEOKBCLINUZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)18-7-5-6-8-19(18)26-20(27)15-13-23-21(24-14-15)25-16-9-11-17(28-4)12-10-16/h5-14H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).