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

C12H17ClFN5 — CID 56679009

IUPAC1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C12H16FN5.ClH/c1-12(2)17-10(14)16-11(15)18(12)7-8-3-5-9(13)6-4-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyFYFMLARWTZIMHR-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.43
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 56679009) has the molecular formula C12H17ClFN5 and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID56679009
Molecular FormulaC12H17ClFN5
Molecular Weight285.75 g/mol
Exact Mass285.12
IUPAC Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C12H16FN5.ClH/c1-12(2)17-10(14)16-11(15)18(12)7-8-3-5-9(13)6-4-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyFYFMLARWTZIMHR-UHFFFAOYSA-N
XLogP1.43
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 56679009) is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1Cc1ccc(F)cc1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is FYFMLARWTZIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5.ClH/c1-12(2)17-10(14)16-11(15)18(12)7-8-3-5-9(13)6-4-8;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 285.75 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 56679009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).