4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

C15H12ClFN6 — CID 19149079

IUPAC4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H12ClFN6/c16-13-11(2-1-7-19-13)23-15-12(18)14(20-8-21-15)22-10-5-3-9(17)4-6-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyINVAUOVAKUWRTO-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.73
Rot. Bonds4

About 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19149079) has the molecular formula C15H12ClFN6 and a molecular weight of 330.75 g/mol. Its IUPAC name is 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19149079
Molecular FormulaC15H12ClFN6
Molecular Weight330.75 g/mol
Exact Mass330.08
IUPAC Name4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H12ClFN6/c16-13-11(2-1-7-19-13)23-15-12(18)14(20-8-21-15)22-10-5-3-9(17)4-6-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyINVAUOVAKUWRTO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-N-(2-chloro-3-pyridinyl)-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-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
CID 19152998
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
6-N-(2-chloro-3-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141069
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145920
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805
ethyl 3-[[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 19153439
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (CID 19149079) is 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1Cl.
What is the InChIKey of 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is INVAUOVAKUWRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN6/c16-13-11(2-1-7-19-13)23-15-12(18)14(20-8-21-15)22-10-5-3-9(17)4-6-10/h1-8H,18H2,(H2,20,21,22,23).
What are the key properties of 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-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 4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19149079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).