N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide

C23H26N4O — CID 109368433

IUPACN-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-16-25-20(22(28)24-15-17-8-6-5-7-9-17)14-21(26-16)27-19-12-10-18(11-13-19)23(2,3)4/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyGWQVYRNVAAFMLJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.76
Rot. Bonds5

About N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide

N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368433) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109368433
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-16-25-20(22(28)24-15-17-8-6-5-7-9-17)14-21(26-16)27-19-12-10-18(11-13-19)23(2,3)4/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyGWQVYRNVAAFMLJ-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371141
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide (CID 109368433) is N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GWQVYRNVAAFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-25-20(22(28)24-15-17-8-6-5-7-9-17)14-21(26-16)27-19-12-10-18(11-13-19)23(2,3)4/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide?
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).