6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride

C17H20ClN5O — CID 44531620

IUPAC6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-17(2)21-15(18)20-16(19)22(17)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13;/h3-11H,1-2H3,(H4,18,19,20,21);1H
InChIKeyXUFUCPKISVEGIK-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.09
Rot. Bonds3

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

6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44531620) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44531620
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-17(2)21-15(18)20-16(19)22(17)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13;/h3-11H,1-2H3,(H4,18,19,20,21);1H
InChIKeyXUFUCPKISVEGIK-UHFFFAOYSA-N
XLogP3.09
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44531620) is 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is XUFUCPKISVEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-17(2)21-15(18)20-16(19)22(17)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13;/h3-11H,1-2H3,(H4,18,19,20,21);1H.
What are the key properties of 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-phenoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).