2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C22H18FN5 — CID 112937394

IUPAC2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2nc(NCc3ccncc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H18FN5/c23-18-7-4-8-19(13-18)26-22-27-20(17-5-2-1-3-6-17)14-21(28-22)25-15-16-9-11-24-12-10-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyCYVZHYRJKYADSX-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.03
Rot. Bonds6

About 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937394) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937394
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2nc(NCc3ccncc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H18FN5/c23-18-7-4-8-19(13-18)26-22-27-20(17-5-2-1-3-6-17)14-21(28-22)25-15-16-9-11-24-12-10-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyCYVZHYRJKYADSX-UHFFFAOYSA-N
XLogP5.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine 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

4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
CID 827706
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
3-N-benzyl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947826
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
3-N-(3-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949989
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937366
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112937394) is 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Fc1cccc(Nc2nc(NCc3ccncc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CYVZHYRJKYADSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c23-18-7-4-8-19(13-18)26-22-27-20(17-5-2-1-3-6-17)14-21(28-22)25-15-16-9-11-24-12-10-16/h1-14H,15H2,(H2,25,26,27,28).
What are the key properties of 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 371.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-6-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).