4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine

C8H11ClN4O — CID 83240570

IUPAC4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCC1CCOC1c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-4-2-3-14-5(4)6-11-7(9)13-8(10)12-6/h4-5H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyYQMHIJROQLDZBL-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.20
Rot. Bonds1

About 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83240570) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83240570
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCC1CCOC1c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-4-2-3-14-5(4)6-11-7(9)13-8(10)12-6/h4-5H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyYQMHIJROQLDZBL-UHFFFAOYSA-N
XLogP1.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine (CID 83240570) is 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine is CC1CCOC1c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YQMHIJROQLDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-4-2-3-14-5(4)6-11-7(9)13-8(10)12-6/h4-5H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 214.66 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methyloxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).