2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 80783677

IUPAC2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-4-9-21-15-19-13(16)18-14(20-15)17-11(3)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyOTCXHPQOSQRUHN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.72
Rot. Bonds6

About 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80783677) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80783677
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-4-9-21-15-19-13(16)18-14(20-15)17-11(3)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyOTCXHPQOSQRUHN-UHFFFAOYSA-N
XLogP2.72
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80825223
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80801788
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80783677) is 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC(C)c2ccccc2C)n1.
What is the InChIKey of 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is OTCXHPQOSQRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-9-21-15-19-13(16)18-14(20-15)17-11(3)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).