2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine

C12H18ClN3O3 — CID 62868914

IUPAC2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OCC2CCCCO2)n1
InChIInChI=1S/C12H18ClN3O3/c1-8(2)19-12-15-10(13)14-11(16-12)18-7-9-5-3-4-6-17-9/h8-9H,3-7H2,1-2H3
InChIKeyQMEIEBVRIHIDRB-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.26
Rot. Bonds5

About 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62868914) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62868914
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OCC2CCCCO2)n1
InChIInChI=1S/C12H18ClN3O3/c1-8(2)19-12-15-10(13)14-11(16-12)18-7-9-5-3-4-6-17-9/h8-9H,3-7H2,1-2H3
InChIKeyQMEIEBVRIHIDRB-UHFFFAOYSA-N
XLogP2.26
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine (CID 62868914) is 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(OCC2CCCCO2)n1.
What is the InChIKey of 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is QMEIEBVRIHIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-8(2)19-12-15-10(13)14-11(16-12)18-7-9-5-3-4-6-17-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 287.75 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62868914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).