4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H20N4O — CID 106659350

IUPAC4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-5-6-7-9-13-10(12-4)15-11(14-9)16-8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyDHODZMYUVRUEML-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.04
Rot. Bonds6

About 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106659350) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106659350
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-5-6-7-9-13-10(12-4)15-11(14-9)16-8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyDHODZMYUVRUEML-UHFFFAOYSA-N
XLogP2.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106659350) is 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCCCc1nc(NC)nc(OC(C)C)n1.
What is the InChIKey of 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is DHODZMYUVRUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6-7-9-13-10(12-4)15-11(14-9)16-8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 224.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106659350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).