4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine

C13H13ClF2N4O — CID 62858893

IUPAC4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H13ClF2N4O/c1-2-21-13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,2-4H2,1H3,(H,17,18,19,20)
InChIKeyFHFIVFNQKJCMKH-UHFFFAOYSA-N
MW314.72 g/mol
LogP2.86
Rot. Bonds6

About 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 62858893) has the molecular formula C13H13ClF2N4O and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID62858893
Molecular FormulaC13H13ClF2N4O
Molecular Weight314.72 g/mol
Exact Mass314.07
IUPAC Name4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H13ClF2N4O/c1-2-21-13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,2-4H2,1H3,(H,17,18,19,20)
InChIKeyFHFIVFNQKJCMKH-UHFFFAOYSA-N
XLogP2.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62863825
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106405451
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine (CID 62858893) is 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is FHFIVFNQKJCMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4O/c1-2-21-13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,2-4H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 314.72 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).