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

C15H24ClN5O3 — CID 56668840

IUPAC6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cc(CN2C(N)=NC(N)=NC2(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C15H23N5O3.ClH/c1-15(2)19-13(16)18-14(17)20(15)8-9-6-10(21-3)12(23-5)11(7-9)22-4;/h6-7H,8H2,1-5H3,(H4,16,17,18,19);1H
InChIKeyXBCQHSWQSJOKJY-UHFFFAOYSA-N
MW357.84 g/mol
LogP1.32
Rot. Bonds5

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

6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 56668840) has the molecular formula C15H24ClN5O3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID56668840
Molecular FormulaC15H24ClN5O3
Molecular Weight357.84 g/mol
Exact Mass357.16
IUPAC Name6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cc(CN2C(N)=NC(N)=NC2(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C15H23N5O3.ClH/c1-15(2)19-13(16)18-14(17)20(15)8-9-6-10(21-3)12(23-5)11(7-9)22-4;/h6-7H,8H2,1-5H3,(H4,16,17,18,19);1H
InChIKeyXBCQHSWQSJOKJY-UHFFFAOYSA-N
XLogP1.32
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride (CID 56668840) is 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride is COc1cc(CN2C(N)=NC(N)=NC2(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is XBCQHSWQSJOKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3.ClH/c1-15(2)19-13(16)18-14(17)20(15)8-9-6-10(21-3)12(23-5)11(7-9)22-4;/h6-7H,8H2,1-5H3,(H4,16,17,18,19);1H.
What are the key properties of 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 56668840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).