N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109330692

IUPACN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(NCCc3ccccc3F)n2)c(C)c1
InChIInChI=1S/C22H23FN4O/c1-14-8-9-19(15(2)12-14)26-21(28)20-13-16(3)25-22(27-20)24-11-10-17-6-4-5-7-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyDNBRXNTYMAXPGN-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.45
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109330692) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109330692
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(NCCc3ccccc3F)n2)c(C)c1
InChIInChI=1S/C22H23FN4O/c1-14-8-9-19(15(2)12-14)26-21(28)20-13-16(3)25-22(27-20)24-11-10-17-6-4-5-7-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyDNBRXNTYMAXPGN-UHFFFAOYSA-N
XLogP4.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371784
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109330702
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323403
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109330692) is N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(NCCc3ccccc3F)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is DNBRXNTYMAXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-8-9-19(15(2)12-14)26-21(28)20-13-16(3)25-22(27-20)24-11-10-17-6-4-5-7-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).