4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

C16H12F3N5 — CID 19149058

IUPAC4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3N5/c17-9-1-4-11(5-2-9)23-15-14(20)16(22-8-21-15)24-13-7-10(18)3-6-12(13)19/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyYOKLKRSESNWPTH-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.96
Rot. Bonds4

About 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149058) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19149058
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3N5/c17-9-1-4-11(5-2-9)23-15-14(20)16(22-8-21-15)24-13-7-10(18)3-6-12(13)19/h1-8H,20H2,(H2,21,22,23,24)
InChIKeyYOKLKRSESNWPTH-UHFFFAOYSA-N
XLogP3.96
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine 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-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19153865
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
1-[3-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547532
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (CID 19149058) is 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is YOKLKRSESNWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c17-9-1-4-11(5-2-9)23-15-14(20)16(22-8-21-15)24-13-7-10(18)3-6-12(13)19/h1-8H,20H2,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 331.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).