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

C12H16FN5 — CID 66765108

IUPAC1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1cccc(F)c1
InChIInChI=1S/C12H16FN5/c1-12(2)17-10(14)16-11(15)18(12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyAWUISTXZQAJEKK-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.01
Rot. Bonds2

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

1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66765108) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID66765108
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1cccc(F)c1
InChIInChI=1S/C12H16FN5/c1-12(2)17-10(14)16-11(15)18(12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyAWUISTXZQAJEKK-UHFFFAOYSA-N
XLogP1.01
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 66765108) is 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AWUISTXZQAJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-12(2)17-10(14)16-11(15)18(12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 249.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66765108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).