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

C16H19ClFN5 — CID 19135885

IUPAC6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCCC1
InChIInChI=1S/C16H19ClFN5/c17-12-8-11(6-7-13(12)18)23-16-14(19)15(20-9-21-16)22-10-4-2-1-3-5-10/h6-10H,1-5,19H2,(H2,20,21,22,23)
InChIKeyNHVNCLLMPNVSOF-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.34
Rot. Bonds4

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

6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine (PubChem CID 19135885) has the molecular formula C16H19ClFN5 and a molecular weight of 335.81 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
PubChem CID19135885
Molecular FormulaC16H19ClFN5
Molecular Weight335.81 g/mol
Exact Mass335.13
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCCC1
InChIInChI=1S/C16H19ClFN5/c17-12-8-11(6-7-13(12)18)23-16-14(19)15(20-9-21-16)22-10-4-2-1-3-5-10/h6-10H,1-5,19H2,(H2,20,21,22,23)
InChIKeyNHVNCLLMPNVSOF-UHFFFAOYSA-N
XLogP4.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine (CID 19135885) is 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCCC1.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine?
The InChIKey is NHVNCLLMPNVSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5/c17-12-8-11(6-7-13(12)18)23-16-14(19)15(20-9-21-16)22-10-4-2-1-3-5-10/h6-10H,1-5,19H2,(H2,20,21,22,23).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine?
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine has a molecular weight of 335.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).