1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

C12H17BrFN5O — CID 134126228

IUPAC1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCc1cccc(F)c1
InChIInChI=1S/C12H16FN5O.BrH/c1-12(2)17-10(14)16-11(15)18(12)19-7-8-4-3-5-9(13)6-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyVAORVDGPVOYKAO-UHFFFAOYSA-N
MW346.20 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134126228) has the molecular formula C12H17BrFN5O and a molecular weight of 346.20 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134126228
Molecular FormulaC12H17BrFN5O
Molecular Weight346.20 g/mol
Exact Mass345.06
IUPAC Name1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCc1cccc(F)c1
InChIInChI=1S/C12H16FN5O.BrH/c1-12(2)17-10(14)16-11(15)18(12)19-7-8-4-3-5-9(13)6-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyVAORVDGPVOYKAO-UHFFFAOYSA-N
XLogP1.52
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134126228) is 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is VAORVDGPVOYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O.BrH/c1-12(2)17-10(14)16-11(15)18(12)19-7-8-4-3-5-9(13)6-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 346.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134126228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).