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

C12H12ClF2N5 — CID 80804455

IUPAC6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12ClF2N5/c1-2-16-11-18-10(13)19-12(20-11)17-6-7-3-4-8(14)9(15)5-7/h3-5H,2,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyUPFAIPDTBWASKW-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.85
Rot. Bonds5

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

6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80804455) has the molecular formula C12H12ClF2N5 and a molecular weight of 299.71 g/mol. Its IUPAC name is 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80804455
Molecular FormulaC12H12ClF2N5
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC Name6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12ClF2N5/c1-2-16-11-18-10(13)19-12(20-11)17-6-7-3-4-8(14)9(15)5-7/h3-5H,2,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyUPFAIPDTBWASKW-UHFFFAOYSA-N
XLogP2.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-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

Related Compounds

6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
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
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80804455) is 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPFAIPDTBWASKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N5/c1-2-16-11-18-10(13)19-12(20-11)17-6-7-3-4-8(14)9(15)5-7/h3-5H,2,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 299.71 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).