4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 80772443

IUPAC4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCc2ccccc2)n1
InChIInChI=1S/C15H21N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyCNPJKCDHTMETKH-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.36
Rot. Bonds8

About 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80772443) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80772443
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCc2ccccc2)n1
InChIInChI=1S/C15H21N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyCNPJKCDHTMETKH-UHFFFAOYSA-N
XLogP2.36
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 103012354
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 81173608
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80772443) is 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is CNPJKCDHTMETKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).