6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H23FN4O — CID 109369036

IUPAC6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NCCc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C22H23FN4O/c1-15-7-9-17(10-8-15)14-25-22(28)20-13-21(27-16(2)26-20)24-12-11-18-5-3-4-6-19(18)23/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyJRKYLYTXNOQFCF-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.82
Rot. Bonds7

About 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109369036) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109369036
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NCCc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C22H23FN4O/c1-15-7-9-17(10-8-15)14-25-22(28)20-13-21(27-16(2)26-20)24-12-11-18-5-3-4-6-19(18)23/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyJRKYLYTXNOQFCF-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371784
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
6-[(2-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109369561
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109369036) is 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(NCCc3ccccc3F)nc(C)n2)cc1.
What is the InChIKey of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JRKYLYTXNOQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-7-9-17(10-8-15)14-25-22(28)20-13-21(27-16(2)26-20)24-12-11-18-5-3-4-6-19(18)23/h3-10,13H,11-12,14H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109369036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).