6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H15FN6S — CID 43303485

IUPAC6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccc(N)cc2F)n1
InChIInChI=1S/C12H15FN6S/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(14)5-8(9)13/h3-5H,6,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyDGNZPWDTAMVXNY-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.53
Rot. Bonds4

About 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 43303485) has the molecular formula C12H15FN6S and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID43303485
Molecular FormulaC12H15FN6S
Molecular Weight294.36 g/mol
Exact Mass294.11
IUPAC Name6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2ccc(N)cc2F)n1
InChIInChI=1S/C12H15FN6S/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(14)5-8(9)13/h3-5H,6,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyDGNZPWDTAMVXNY-UHFFFAOYSA-N
XLogP1.53
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 43303485) is 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2ccc(N)cc2F)n1.
What is the InChIKey of 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DGNZPWDTAMVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6S/c1-19(2)12-17-10(16-11(15)18-12)6-20-9-4-3-7(14)5-8(9)13/h3-5H,6,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-2-fluorophenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 43303485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).