6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine

C11H13N5O — CID 80754961

IUPAC6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-8(6-7)13-10-14-9(12)15-11(16-10)17-2/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyOLMXWXBEJMEIQN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.51
Rot. Bonds3

About 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80754961) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80754961
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-8(6-7)13-10-14-9(12)15-11(16-10)17-2/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyOLMXWXBEJMEIQN-UHFFFAOYSA-N
XLogP1.51
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-3-methylbenzamide
CID 58205145
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 141033854
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 80754961) is 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2cccc(C)c2)n1.
What is the InChIKey of 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OLMXWXBEJMEIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-3-5-8(6-7)13-10-14-9(12)15-11(16-10)17-2/h3-6H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).