4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine

C9H16N4O — CID 116734001

IUPAC4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCCCC(OC)c1nc(C)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-4-5-7(14-3)8-11-6(2)12-9(10)13-8/h7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeySMXBHCGUKWYULV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds4

About 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine

4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 116734001) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID116734001
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCCCC(OC)c1nc(C)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-4-5-7(14-3)8-11-6(2)12-9(10)13-8/h7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeySMXBHCGUKWYULV-UHFFFAOYSA-N
XLogP1.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
CID 116728648
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
CID 116731217
6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116728869
5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733247
5-bromo-4-chloro-2-(1-methoxybutyl)-6-propan-2-ylpyrimidine
CID 116706495
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
4-cyclohexyl-6-(1-ethoxybutyl)-1,3,5-triazin-2-amine
CID 116734086

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine (CID 116734001) is 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine is CCCC(OC)c1nc(C)nc(N)n1.
What is the InChIKey of 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SMXBHCGUKWYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-7(14-3)8-11-6(2)12-9(10)13-8/h7H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine?
4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116734001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).