N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide

C22H24N4O — CID 109265594

IUPACN-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-15-6-5-7-19(12-15)26-21-23-13-16(14-24-21)20(27)25-18-10-8-17(9-11-18)22(2,3)4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyXIGDQRUROIKJNA-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.08
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide

N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265594) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265594
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-15-6-5-7-19(12-15)26-21-23-13-16(14-24-21)20(27)25-18-10-8-17(9-11-18)22(2,3)4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyXIGDQRUROIKJNA-UHFFFAOYSA-N
XLogP5.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide (CID 109265594) is N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is XIGDQRUROIKJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-6-5-7-19(12-15)26-21-23-13-16(14-24-21)20(27)25-18-10-8-17(9-11-18)22(2,3)4/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide?
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).