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

C14H19N5O — CID 80790129

IUPAC2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N5O/c1-3-7-20-14-18-12(15)17-13(19-14)16-9-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyANIDTYAVCXICRU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.16
Rot. Bonds6

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

2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80790129) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80790129
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N5O/c1-3-7-20-14-18-12(15)17-13(19-14)16-9-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyANIDTYAVCXICRU-UHFFFAOYSA-N
XLogP2.16
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80813996
2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80790129) is 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCc2cccc(C)c2)n1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ANIDTYAVCXICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-7-20-14-18-12(15)17-13(19-14)16-9-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).