4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine

C12H21ClN4O — CID 80861510

IUPAC4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCC(CC)COc1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H21ClN4O/c1-4-6-7-9(5-2)8-18-12-16-10(13)15-11(14-3)17-12/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyTZNQQEJTIRMPFH-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.16
Rot. Bonds8

About 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80861510) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80861510
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCC(CC)COc1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H21ClN4O/c1-4-6-7-9(5-2)8-18-12-16-10(13)15-11(14-3)17-12/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyTZNQQEJTIRMPFH-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107817648
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80866278
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773634
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
CID 63446521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80861510) is 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine is CCCCC(CC)COc1nc(Cl)nc(NC)n1.
What is the InChIKey of 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is TZNQQEJTIRMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-4-6-7-9(5-2)8-18-12-16-10(13)15-11(14-3)17-12/h9H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 272.78 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).