4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine

C7H11ClN4O — CID 112606029

IUPAC4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)OCc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-4(2)13-3-5-10-6(8)12-7(9)11-5/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyIHQUOVQNXVQWGI-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.03
Rot. Bonds3

About 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine

4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine (PubChem CID 112606029) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
PubChem CID112606029
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)OCc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-4(2)13-3-5-10-6(8)12-7(9)11-5/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyIHQUOVQNXVQWGI-UHFFFAOYSA-N
XLogP1.03
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine (CID 112606029) is 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine is CC(C)OCc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is IHQUOVQNXVQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4(2)13-3-5-10-6(8)12-7(9)11-5/h4H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 202.64 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112606029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).