2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride

C11H14ClF2N5 — CID 44521954

IUPAC2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride
SMILESCC1(C)N=C(N)NC(Nc2ccc(F)c(F)c2)=N1.Cl
InChIInChI=1S/C11H13F2N5.ClH/c1-11(2)17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6;/h3-5H,1-2H3,(H4,14,15,16,17,18);1H
InChIKeyGYLOEOAGBXHSJN-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.81
Rot. Bonds1

About 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride

2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride (PubChem CID 44521954) has the molecular formula C11H14ClF2N5 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride
PubChem CID44521954
Molecular FormulaC11H14ClF2N5
Molecular Weight289.72 g/mol
Exact Mass289.09
IUPAC Name2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride
SMILESCC1(C)N=C(N)NC(Nc2ccc(F)c(F)c2)=N1.Cl
InChIInChI=1S/C11H13F2N5.ClH/c1-11(2)17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6;/h3-5H,1-2H3,(H4,14,15,16,17,18);1H
InChIKeyGYLOEOAGBXHSJN-UHFFFAOYSA-N
XLogP1.81
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride?
The IUPAC name of 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride (CID 44521954) is 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride is CC1(C)N=C(N)NC(Nc2ccc(F)c(F)c2)=N1.Cl.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride?
The InChIKey is GYLOEOAGBXHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5.ClH/c1-11(2)17-9(14)16-10(18-11)15-6-3-4-7(12)8(13)5-6;/h3-5H,1-2H3,(H4,14,15,16,17,18);1H.
What are the key properties of 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride?
2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine;hydrochloride is sourced from PubChem (CID 44521954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).