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

C9H15ClN4O2 — CID 80859965

IUPAC4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OCCOC(C)C)n1
InChIInChI=1S/C9H15ClN4O2/c1-6(2)15-4-5-16-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyTZTCHOYMUGKWTN-UHFFFAOYSA-N
MW246.70 g/mol
LogP1.37
Rot. Bonds6

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

4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859965) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
PubChem CID80859965
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(OCCOC(C)C)n1
InChIInChI=1S/C9H15ClN4O2/c1-6(2)15-4-5-16-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyTZTCHOYMUGKWTN-UHFFFAOYSA-N
XLogP1.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80866278
4-chloro-6-(2-cyclobutylethoxy)-N-methyl-1,3,5-triazin-2-amine
CID 106207656
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80861510
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115943139
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine (CID 80859965) is 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(OCCOC(C)C)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine?
The InChIKey is TZTCHOYMUGKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-6(2)15-4-5-16-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine has a molecular weight of 246.70 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).