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

C11H21N5O — CID 80833385

IUPAC2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCC(C)CC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-17-11-15-9(12)14-10(16-11)13-7-8(3)5-2/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyAYKATDNDWMIGAZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.70
Rot. Bonds7

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

2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80833385) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80833385
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCC(C)CC)n1
InChIInChI=1S/C11H21N5O/c1-4-6-17-11-15-9(12)14-10(16-11)13-7-8(3)5-2/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyAYKATDNDWMIGAZ-UHFFFAOYSA-N
XLogP1.70
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80833385) is 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCC(C)CC)n1.
What is the InChIKey of 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AYKATDNDWMIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-6-17-11-15-9(12)14-10(16-11)13-7-8(3)5-2/h8H,4-7H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80833385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).