6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109369741

IUPAC6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCc2ccccc2F)nc(C)n1
InChIInChI=1S/C22H23FN4O/c1-4-27(18-10-7-8-15(2)12-18)21-13-20(25-16(3)26-21)22(28)24-14-17-9-5-6-11-19(17)23/h5-13H,4,14H2,1-3H3,(H,24,28)
InChIKeyZSKNSHPNMMGNEE-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.32
Rot. Bonds6

About 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369741) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109369741
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCc2ccccc2F)nc(C)n1
InChIInChI=1S/C22H23FN4O/c1-4-27(18-10-7-8-15(2)12-18)21-13-20(25-16(3)26-21)22(28)24-14-17-9-5-6-11-19(17)23/h5-13H,4,14H2,1-3H3,(H,24,28)
InChIKeyZSKNSHPNMMGNEE-UHFFFAOYSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
5-(N-ethyl-3-methylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280082
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
6-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120151
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
6-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370286
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109369741) is 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)NCc2ccccc2F)nc(C)n1.
What is the InChIKey of 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZSKNSHPNMMGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-4-27(18-10-7-8-15(2)12-18)21-13-20(25-16(3)26-21)22(28)24-14-17-9-5-6-11-19(17)23/h5-13H,4,14H2,1-3H3,(H,24,28).
What are the key properties of 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).