4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine

C8H13ClN4O — CID 80866278

IUPAC4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCCC(C)Oc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN4O/c1-4-5(2)14-8-12-6(9)11-7(10-3)13-8/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyQIRKKKFCXFHASM-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.74
Rot. Bonds4

About 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine

4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80866278) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID80866278
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCCC(C)Oc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN4O/c1-4-5(2)14-8-12-6(9)11-7(10-3)13-8/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyQIRKKKFCXFHASM-UHFFFAOYSA-N
XLogP1.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
CID 80859965
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80861510
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-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 102723608
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113499303
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine (CID 80866278) is 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine is CCC(C)Oc1nc(Cl)nc(NC)n1.
What is the InChIKey of 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QIRKKKFCXFHASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-4-5(2)14-8-12-6(9)11-7(10-3)13-8/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine?
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 216.67 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).