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

C14H19N5O — CID 80763432

IUPAC2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C14H19N5O/c1-4-7-20-14-18-12(15)17-13(19-14)16-11-8-9(2)5-6-10(11)3/h5-6,8H,4,7H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyLEGHUGULEHOPOT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds5

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

2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80763432) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80763432
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C14H19N5O/c1-4-7-20-14-18-12(15)17-13(19-14)16-11-8-9(2)5-6-10(11)3/h5-6,8H,4,7H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyLEGHUGULEHOPOT-UHFFFAOYSA-N
XLogP2.60
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80763432) is 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is LEGHUGULEHOPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-7-20-14-18-12(15)17-13(19-14)16-11-8-9(2)5-6-10(11)3/h5-6,8H,4,7H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80763432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).