2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

C10H11FN6O — CID 91334398

IUPAC2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cc(Nc2nc(N)nc(N)n2)ccc1F
InChIInChI=1S/C10H11FN6O/c1-18-7-4-5(2-3-6(7)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17)
InChIKeyFWIVFWPALRWPPV-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.93
Rot. Bonds3

About 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 91334398) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID91334398
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cc(Nc2nc(N)nc(N)n2)ccc1F
InChIInChI=1S/C10H11FN6O/c1-18-7-4-5(2-3-6(7)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17)
InChIKeyFWIVFWPALRWPPV-UHFFFAOYSA-N
XLogP0.93
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine 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-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (CID 91334398) is 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is COc1cc(Nc2nc(N)nc(N)n2)ccc1F.
What is the InChIKey of 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FWIVFWPALRWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c1-18-7-4-5(2-3-6(7)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17).
What are the key properties of 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 250.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 91334398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).