N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C21H21FN4O — CID 109336772

IUPACN-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2ccccc2F)n1)c1cccc(C)c1
InChIInChI=1S/C21H21FN4O/c1-4-26(16-9-7-8-14(2)12-16)20(27)19-13-15(3)23-21(25-19)24-18-11-6-5-10-17(18)22/h5-13H,4H2,1-3H3,(H,23,24,25)
InChIKeyVHUQYAWGOWMHLB-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.64
Rot. Bonds5

About N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109336772) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109336772
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2ccccc2F)n1)c1cccc(C)c1
InChIInChI=1S/C21H21FN4O/c1-4-26(16-9-7-8-14(2)12-16)20(27)19-13-15(3)23-21(25-19)24-18-11-6-5-10-17(18)22/h5-13H,4H2,1-3H3,(H,23,24,25)
InChIKeyVHUQYAWGOWMHLB-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327446
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
2-(cyclopentylamino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109322092
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109336772) is N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(Nc2ccccc2F)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VHUQYAWGOWMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-4-26(16-9-7-8-14(2)12-16)20(27)19-13-15(3)23-21(25-19)24-18-11-6-5-10-17(18)22/h5-13H,4H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).