2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109265301

IUPAC2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O/c1-15-7-5-6-8-19(15)26-20(27)16-13-23-21(24-14-16)25-18-11-9-17(10-12-18)22(2,3)4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFBGCOHHMFAMTFS-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265301) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265301
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O/c1-15-7-5-6-8-19(15)26-20(27)16-13-23-21(24-14-16)25-18-11-9-17(10-12-18)22(2,3)4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFBGCOHHMFAMTFS-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-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267158
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265301) is 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is FBGCOHHMFAMTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-7-5-6-8-19(15)26-20(27)16-13-23-21(24-14-16)25-18-11-9-17(10-12-18)22(2,3)4/h5-14H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(4-tert-butylanilino)-N-(2-methylphenyl)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 2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).