6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C15H12ClFN6 — CID 19145485

IUPAC6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN6/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyJNRJCMZKCVGISE-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.73
Rot. Bonds4

About 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 19145485) has the molecular formula C15H12ClFN6 and a molecular weight of 330.75 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID19145485
Molecular FormulaC15H12ClFN6
Molecular Weight330.75 g/mol
Exact Mass330.08
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN6/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyJNRJCMZKCVGISE-UHFFFAOYSA-N
XLogP3.73
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-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

6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
4-N-(3-chloro-4-fluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153095
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
1-[3-[[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547514
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150565
4-N-(3-chloro-4-fluorophenyl)-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19149738
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 19145485) is 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccnc2)ncnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is JNRJCMZKCVGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 330.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).