6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C13H16FN5 — CID 115502962

IUPAC6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cccc(F)c2C)nc(N(C)C)n1
InChIInChI=1S/C13H16FN5/c1-8-9(6-5-7-10(8)14)11-16-12(15-2)18-13(17-11)19(3)4/h5-7H,1-4H3,(H,15,16,17,18)
InChIKeyZZSGKUKUURETFK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.09
Rot. Bonds3

About 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 115502962) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID115502962
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cccc(F)c2C)nc(N(C)C)n1
InChIInChI=1S/C13H16FN5/c1-8-9(6-5-7-10(8)14)11-16-12(15-2)18-13(17-11)19(3)4/h5-7H,1-4H3,(H,15,16,17,18)
InChIKeyZZSGKUKUURETFK-UHFFFAOYSA-N
XLogP2.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-(3-fluoro-2-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115503066
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine
CID 81227653
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335
2-N,2-N,4-N-trimethyl-6-(3-methylthiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 79991346
2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 138579162
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 154968468
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
2-N,2-N,6-N-trimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80821942
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 115502962) is 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(-c2cccc(F)c2C)nc(N(C)C)n1.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZZSGKUKUURETFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-8-9(6-5-7-10(8)14)11-16-12(15-2)18-13(17-11)19(3)4/h5-7H,1-4H3,(H,15,16,17,18).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115502962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).