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

C10H9ClFN5O — CID 80780587

IUPAC2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C10H9ClFN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyWWKYVSUNTKCWNY-UHFFFAOYSA-N
MW269.67 g/mol
LogP2.00
Rot. Bonds3

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

2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80780587) has the molecular formula C10H9ClFN5O and a molecular weight of 269.67 g/mol. Its IUPAC name is 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80780587
Molecular FormulaC10H9ClFN5O
Molecular Weight269.67 g/mol
Exact Mass269.05
IUPAC Name2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C10H9ClFN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyWWKYVSUNTKCWNY-UHFFFAOYSA-N
XLogP2.00
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-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

2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
6-methoxy-2-N-(2,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80825019
2-N-(5-bromo-2,4-difluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102855487
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80780587) is 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is WWKYVSUNTKCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O/c1-18-10-16-8(13)15-9(17-10)14-7-4-5(11)2-3-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 269.67 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).