N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide

C21H21FN4O — CID 109369791

IUPACN-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NCc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C21H21FN4O/c1-13-8-14(2)10-18(9-13)26-21(27)19-11-20(25-15(3)24-19)23-12-16-4-6-17(22)7-5-16/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyNHCODTRVKIGNEI-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.41
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369791) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109369791
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NCc3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C21H21FN4O/c1-13-8-14(2)10-18(9-13)26-21(27)19-11-20(25-15(3)24-19)23-12-16-4-6-17(22)7-5-16/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyNHCODTRVKIGNEI-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109369846
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369835
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233
2-methyl-6-(pyridin-4-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109371257
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide (CID 109369791) is N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(NCc3ccc(F)cc3)nc(C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is NHCODTRVKIGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-13-8-14(2)10-18(9-13)26-21(27)19-11-20(25-15(3)24-19)23-12-16-4-6-17(22)7-5-16/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).