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

C11H14ClN5 — CID 9049

💊View drug profile → cycloguanil
IUPAC1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyQMNFFXRFOJIOKZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.53
Rot. Bonds1

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

1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 9049) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID9049
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyQMNFFXRFOJIOKZ-UHFFFAOYSA-N
XLogP1.53
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Chlorhexidine
CID 9552079
Proguanil
CID 6178111
Proguanil Hydrochloride
CID 9570076
Chlorhexidine Hydrochloride
CID 9571016
Chlorproguanil
CID 9571037
Cycloguanil hydrochloride
CID 9048
N1-(4-Chlorophenyl)-N5-isopropylbiguanide
CID 4923
Chlorohexidine
CID 2713
(4-Chlorophenyl)biguanide
CID 19933
1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-
CID 25889
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 12498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 9049) is 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QMNFFXRFOJIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.72 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 9049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).