2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C23H27N5O — CID 109336621

IUPAC2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-14-11-15(2)21(16(3)12-14)27-22(29)20-13-17(4)24-23(26-20)25-18-7-9-19(10-8-18)28(5)6/h7-13H,1-6H3,(H,27,29)(H,24,25,26)
InChIKeyPOPKPKXWOPALTH-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.77
Rot. Bonds5

About 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109336621) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109336621
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-14-11-15(2)21(16(3)12-14)27-22(29)20-13-17(4)24-23(26-20)25-18-7-9-19(10-8-18)28(5)6/h7-13H,1-6H3,(H,27,29)(H,24,25,26)
InChIKeyPOPKPKXWOPALTH-UHFFFAOYSA-N
XLogP4.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
2-(3,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336630
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109337344
2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325671
2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109336621) is 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c(C)c1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is POPKPKXWOPALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14-11-15(2)21(16(3)12-14)27-22(29)20-13-17(4)24-23(26-20)25-18-7-9-19(10-8-18)28(5)6/h7-13H,1-6H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).