4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride

C11H13ClN4O — CID 175949920

IUPAC4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCOc1nc(N)nc(-c2ccc(C)cc2)n1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-7-3-5-8(6-4-7)9-13-10(12)15-11(14-9)16-2;/h3-6H,1-2H3,(H2,12,13,14,15);1H
InChIKeyBKJMBBVSHHFXMM-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.86
Rot. Bonds2

About 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride

4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 175949920) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
PubChem CID175949920
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCOc1nc(N)nc(-c2ccc(C)cc2)n1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-7-3-5-8(6-4-7)9-13-10(12)15-11(14-9)16-2;/h3-6H,1-2H3,(H2,12,13,14,15);1H
InChIKeyBKJMBBVSHHFXMM-UHFFFAOYSA-N
XLogP1.86
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-(4-cyclopropyloxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114520303
4-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867122
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205209
4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63869011
4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 115503747
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine
CID 116645315
4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 117079955
4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80863574
4-methoxy-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80869201

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride (CID 175949920) is 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride is COc1nc(N)nc(-c2ccc(C)cc2)n1.Cl.
What is the InChIKey of 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is BKJMBBVSHHFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c1-7-3-5-8(6-4-7)9-13-10(12)15-11(14-9)16-2;/h3-6H,1-2H3,(H2,12,13,14,15);1H.
What are the key properties of 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride?
4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 252.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methylphenyl)-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 175949920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).