N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109346751

IUPACN-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-9-16(22-11-23-17)18(25)21-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,25)(H,22,23,24)
InChIKeyOXUFTDUVJOSZJL-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109346751) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109346751
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-9-16(22-11-23-17)18(25)21-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,25)(H,22,23,24)
InChIKeyOXUFTDUVJOSZJL-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (CID 109346751) is N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2F)ncn1.
What is the InChIKey of N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is OXUFTDUVJOSZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-9-16(22-11-23-17)18(25)21-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).