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

C12H15F2N5 — CID 66765521

IUPAC1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyBAXIUFBFDRKXKL-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.15
Rot. Bonds2

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

1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66765521) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID66765521
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyBAXIUFBFDRKXKL-UHFFFAOYSA-N
XLogP1.15
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 66765521) is 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BAXIUFBFDRKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H4,15,16,17,18).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66765521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).