N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C24H28N4O — CID 109330392

IUPACN-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-17-16-21(22(29)27-20-12-10-19(11-13-20)24(2,3)4)28-23(26-17)25-15-14-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyAEFJSWYNPZHZNW-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.99
Rot. Bonds6

About N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109330392) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109330392
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-17-16-21(22(29)27-20-12-10-19(11-13-20)24(2,3)4)28-23(26-17)25-15-14-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,27,29)(H,25,26,28)
InChIKeyAEFJSWYNPZHZNW-UHFFFAOYSA-N
XLogP4.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327405
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109330392) is N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is AEFJSWYNPZHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-16-21(22(29)27-20-12-10-19(11-13-20)24(2,3)4)28-23(26-17)25-15-14-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).