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

C15H21N5O — CID 80795943

IUPAC6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-5-10-16-13-17-14(19-15(18-13)21-4)20(3)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19)
InChIKeyVABKGTBBZJRUIN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.78
Rot. Bonds6

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

6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80795943) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80795943
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-5-10-16-13-17-14(19-15(18-13)21-4)20(3)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19)
InChIKeyVABKGTBBZJRUIN-UHFFFAOYSA-N
XLogP2.78
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795742
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773776
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869615
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
6-methoxy-2-N-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80775435
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 82808235
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80795943) is 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OC)nc(N(C)c2ccccc2C)n1.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VABKGTBBZJRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-10-16-13-17-14(19-15(18-13)21-4)20(3)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19).
What are the key properties of 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80795943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).