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

C6H8Cl2N4O — CID 119089966

IUPAC4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)ONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H8Cl2N4O/c1-3(2)13-12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H,9,10,11,12)
InChIKeyXRPJKZXYYVUAJL-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.93
Rot. Bonds3

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

4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 119089966) has the molecular formula C6H8Cl2N4O and a molecular weight of 223.06 g/mol. Its IUPAC name is 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID119089966
Molecular FormulaC6H8Cl2N4O
Molecular Weight223.06 g/mol
Exact Mass222.01
IUPAC Name4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)ONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H8Cl2N4O/c1-3(2)13-12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H,9,10,11,12)
InChIKeyXRPJKZXYYVUAJL-UHFFFAOYSA-N
XLogP1.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine (CID 119089966) is 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)ONc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is XRPJKZXYYVUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N4O/c1-3(2)13-12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H,9,10,11,12).
What are the key properties of 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine?
4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 223.06 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 119089966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).