6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C12H13ClFN5 — CID 80776835

IUPAC6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H13ClFN5/c1-2-15-11-17-10(13)18-12(19-11)16-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyCTZNUVHZBDFKBD-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.71
Rot. Bonds5

About 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80776835) has the molecular formula C12H13ClFN5 and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80776835
Molecular FormulaC12H13ClFN5
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC Name6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H13ClFN5/c1-2-15-11-17-10(13)18-12(19-11)16-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyCTZNUVHZBDFKBD-UHFFFAOYSA-N
XLogP2.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 64695767
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
CID 82459730
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 80776835) is 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CTZNUVHZBDFKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5/c1-2-15-11-17-10(13)18-12(19-11)16-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.72 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).