4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H19ClN4O — CID 55124483

IUPAC4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)CCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-7(2)5-6-13-10-14-9(12)15-11(16-10)17-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyHXZKOALYCLHHLH-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.77
Rot. Bonds6

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

4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 55124483) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID55124483
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)CCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C11H19ClN4O/c1-7(2)5-6-13-10-14-9(12)15-11(16-10)17-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyHXZKOALYCLHHLH-UHFFFAOYSA-N
XLogP2.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 55124483) is 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)CCNc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is HXZKOALYCLHHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-7(2)5-6-13-10-14-9(12)15-11(16-10)17-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).