1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C11H13Cl2N5 — CID 18517

IUPAC1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H4,14,15,16,17)
InChIKeyFTQUITOMKYDIRQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 18517) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID18517
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H4,14,15,16,17)
InChIKeyFTQUITOMKYDIRQ-UHFFFAOYSA-N
XLogP2.18
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 18517) is 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FTQUITOMKYDIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3,(H4,14,15,16,17).
What are the key properties of 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 286.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).