4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C13H14ClFN6 — CID 80775135

IUPAC4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C13H14ClFN6/c14-11-17-12(16)19-13(18-11)21-7-5-20(6-8-21)10-4-2-1-3-9(10)15/h1-4H,5-8H2,(H2,16,17,18,19)
InChIKeyWBXWXXRLAWTEHM-UHFFFAOYSA-N
MW308.75 g/mol
LogP1.57
Rot. Bonds2

About 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80775135) has the molecular formula C13H14ClFN6 and a molecular weight of 308.75 g/mol. Its IUPAC name is 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80775135
Molecular FormulaC13H14ClFN6
Molecular Weight308.75 g/mol
Exact Mass308.10
IUPAC Name4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C13H14ClFN6/c14-11-17-12(16)19-13(18-11)21-7-5-20(6-8-21)10-4-2-1-3-9(10)15/h1-4H,5-8H2,(H2,16,17,18,19)
InChIKeyWBXWXXRLAWTEHM-UHFFFAOYSA-N
XLogP1.57
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 80775135) is 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is WBXWXXRLAWTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN6/c14-11-17-12(16)19-13(18-11)21-7-5-20(6-8-21)10-4-2-1-3-9(10)15/h1-4H,5-8H2,(H2,16,17,18,19).
What are the key properties of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 308.75 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80775135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).