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

C12H18ClN5O — CID 6602963

IUPAC1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.Cl
InChIInChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
InChIKeyADQSSLSBOAKAMZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.30
Rot. Bonds2

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

1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 6602963) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID6602963
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.Cl
InChIInChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
InChIKeyADQSSLSBOAKAMZ-UHFFFAOYSA-N
XLogP1.30
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 6602963) is 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is COc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is ADQSSLSBOAKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3;/h4-7H,1-3H3,(H4,13,14,15,16);1H.
What are the key properties of 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 6602963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).