N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112849731

IUPACN-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-24-20(14-21(25-15)26-16-10-12-17(29-5)13-11-16)22(28)27-19-9-7-6-8-18(19)23(2,3)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyDNIZSWSSLLVWIX-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.09
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849731) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849731
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-24-20(14-21(25-15)26-16-10-12-17(29-5)13-11-16)22(28)27-19-9-7-6-8-18(19)23(2,3)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyDNIZSWSSLLVWIX-UHFFFAOYSA-N
XLogP5.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109163142
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
methyl 4-[[6-(2-tert-butylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877772
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112849731) is N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)nc(C)n2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DNIZSWSSLLVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-24-20(14-21(25-15)26-16-10-12-17(29-5)13-11-16)22(28)27-19-9-7-6-8-18(19)23(2,3)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).