4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C13H14BrClFN5 — CID 63548192

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H14BrClFN5/c1-3-21(4-2)13-19-11(15)18-12(20-13)17-10-6-5-8(14)7-9(10)16/h5-7H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyGZILYLPGZNDJBR-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.02
Rot. Bonds5

About 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 63548192) has the molecular formula C13H14BrClFN5 and a molecular weight of 374.65 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID63548192
Molecular FormulaC13H14BrClFN5
Molecular Weight374.65 g/mol
Exact Mass373.01
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H14BrClFN5/c1-3-21(4-2)13-19-11(15)18-12(20-13)17-10-6-5-8(14)7-9(10)16/h5-7H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyGZILYLPGZNDJBR-UHFFFAOYSA-N
XLogP4.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869327
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102854503
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80748472
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
4-N-(4-chloro-2-iodophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 107639126
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 63548192) is 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZILYLPGZNDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFN5/c1-3-21(4-2)13-19-11(15)18-12(20-13)17-10-6-5-8(14)7-9(10)16/h5-7H,3-4H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 374.65 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63548192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).