4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

C12H11ClF2N4O — CID 62869859

IUPAC4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11ClF2N4O/c1-2-3-20-12-18-10(13)17-11(19-12)16-9-5-7(14)4-8(15)6-9/h4-6H,2-3H2,1H3,(H,16,17,18,19)
InChIKeyRBBNCQMFYNBEMH-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.34
Rot. Bonds5

About 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62869859) has the molecular formula C12H11ClF2N4O and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62869859
Molecular FormulaC12H11ClF2N4O
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H11ClF2N4O/c1-2-3-20-12-18-10(13)17-11(19-12)16-9-5-7(14)4-8(15)6-9/h4-6H,2-3H2,1H3,(H,16,17,18,19)
InChIKeyRBBNCQMFYNBEMH-UHFFFAOYSA-N
XLogP3.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine 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

N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63549239
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62869859) is 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is RBBNCQMFYNBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O/c1-2-3-20-12-18-10(13)17-11(19-12)16-9-5-7(14)4-8(15)6-9/h4-6H,2-3H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 300.70 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).