N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide

C18H15FN4O — CID 109346699

IUPACN-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H15FN4O/c19-14-6-8-15(9-7-14)23-17-10-16(21-12-22-17)18(24)20-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,24)(H,21,22,23)
InChIKeyDRDOEBWMNADVDW-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide

N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109346699) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109346699
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C18H15FN4O/c19-14-6-8-15(9-7-14)23-17-10-16(21-12-22-17)18(24)20-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,24)(H,21,22,23)
InChIKeyDRDOEBWMNADVDW-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109346748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109346699) is N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is DRDOEBWMNADVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-6-8-15(9-7-14)23-17-10-16(21-12-22-17)18(24)20-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,24)(H,21,22,23).
What are the key properties of N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).