N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C24H28N4O — CID 109327405

IUPACN-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C24H28N4O/c1-16-8-6-7-9-18(16)15-25-23-26-17(2)14-21(28-23)22(29)27-20-12-10-19(11-13-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyNJVSALXGLABEBC-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.26
Rot. Bonds5

About N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327405) 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-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327405
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C24H28N4O/c1-16-8-6-7-9-18(16)15-25-23-26-17(2)14-21(28-23)22(29)27-20-12-10-19(11-13-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyNJVSALXGLABEBC-UHFFFAOYSA-N
XLogP5.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327398
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328519
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327405) is N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(NCc2ccccc2C)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is NJVSALXGLABEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-8-6-7-9-18(16)15-25-23-26-17(2)14-21(28-23)22(29)27-20-12-10-19(11-13-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.26, 5 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-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).