[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol

C11H12FN5O — CID 146317232

IUPAC[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol
SMILESCN(c1ccc(F)cc1)c1nc(N)nc(CO)n1
InChIInChI=1S/C11H12FN5O/c1-17(8-4-2-7(12)3-5-8)11-15-9(6-18)14-10(13)16-11/h2-5,18H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWXFYNYYEMYOEPU-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.85
Rot. Bonds3

About [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol

[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol (PubChem CID 146317232) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol
PubChem CID146317232
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol
SMILESCN(c1ccc(F)cc1)c1nc(N)nc(CO)n1
InChIInChI=1S/C11H12FN5O/c1-17(8-4-2-7(12)3-5-8)11-15-9(6-18)14-10(13)16-11/h2-5,18H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWXFYNYYEMYOEPU-UHFFFAOYSA-N
XLogP0.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate
CID 146317201
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816631
6-chloro-4-N-(4-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80735308
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-fluoro-2-methylbenzoate
CID 37237945
2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 30778605
N-(4-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648946
(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 40879933
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30721951

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol?
The IUPAC name of [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol (CID 146317232) is [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol.
What is the SMILES notation for [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol?
The canonical SMILES for [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol is CN(c1ccc(F)cc1)c1nc(N)nc(CO)n1.
What is the InChIKey of [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol?
The InChIKey is WXFYNYYEMYOEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-17(8-4-2-7(12)3-5-8)11-15-9(6-18)14-10(13)16-11/h2-5,18H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol?
[4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol has a molecular weight of 249.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]methanol is sourced from PubChem (CID 146317232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).