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

C22H23FN4O — CID 109371784

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

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

N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371784) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109371784
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCc3ccccc3F)nc(C)n2)c(C)c1
InChIInChI=1S/C22H23FN4O/c1-14-8-9-19(15(2)12-14)27-22(28)20-13-21(26-16(3)25-20)24-11-10-17-6-4-5-7-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyDTUFYXVSVSAVGX-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)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330692
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369036
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109371784) is N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCCc3ccccc3F)nc(C)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is DTUFYXVSVSAVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-8-9-19(15(2)12-14)27-22(28)20-13-21(26-16(3)25-20)24-11-10-17-6-4-5-7-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-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)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).