6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C20H22FN7 — CID 667006

IUPAC6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22FN7/c21-16-8-4-5-9-17(16)28-12-10-27(11-13-28)14-18-24-19(22)26-20(25-18)23-15-6-2-1-3-7-15/h1-9H,10-14H2,(H3,22,23,24,25,26)
InChIKeyVMBKXMUODGBTIE-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.66
Rot. Bonds5

About 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 667006) has the molecular formula C20H22FN7 and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID667006
Molecular FormulaC20H22FN7
Molecular Weight379.44 g/mol
Exact Mass379.19
IUPAC Name6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22FN7/c21-16-8-4-5-9-17(16)28-12-10-27(11-13-28)14-18-24-19(22)26-20(25-18)23-15-6-2-1-3-7-15/h1-9H,10-14H2,(H3,22,23,24,25,26)
InChIKeyVMBKXMUODGBTIE-UHFFFAOYSA-N
XLogP2.66
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 667006) is 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VMBKXMUODGBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7/c21-16-8-4-5-9-17(16)28-12-10-27(11-13-28)14-18-24-19(22)26-20(25-18)23-15-6-2-1-3-7-15/h1-9H,10-14H2,(H3,22,23,24,25,26).
What are the key properties of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 379.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 667006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).