2-(dioxan-3-yl)pyrimidine

C8H10N2O2 — CID 21290443

IUPAC2-(dioxan-3-yl)pyrimidine
SMILESc1cnc(C2CCCOO2)nc1
InChIInChI=1S/C8H10N2O2/c1-3-7(12-11-6-1)8-9-4-2-5-10-8/h2,4-5,7H,1,3,6H2
InChIKeyQLUHWKVQCSUUDJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.26
Rot. Bonds1

About 2-(dioxan-3-yl)pyrimidine

2-(dioxan-3-yl)pyrimidine (PubChem CID 21290443) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(dioxan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(dioxan-3-yl)pyrimidine
PubChem CID21290443
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(dioxan-3-yl)pyrimidine
SMILESc1cnc(C2CCCOO2)nc1
InChIInChI=1S/C8H10N2O2/c1-3-7(12-11-6-1)8-9-4-2-5-10-8/h2,4-5,7H,1,3,6H2
InChIKeyQLUHWKVQCSUUDJ-UHFFFAOYSA-N
XLogP1.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dioxan-3-yl)pyrimidine?
The IUPAC name of 2-(dioxan-3-yl)pyrimidine (CID 21290443) is 2-(dioxan-3-yl)pyrimidine.
What is the SMILES notation for 2-(dioxan-3-yl)pyrimidine?
The canonical SMILES for 2-(dioxan-3-yl)pyrimidine is c1cnc(C2CCCOO2)nc1.
What is the InChIKey of 2-(dioxan-3-yl)pyrimidine?
The InChIKey is QLUHWKVQCSUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-7(12-11-6-1)8-9-4-2-5-10-8/h2,4-5,7H,1,3,6H2.
What are the key properties of 2-(dioxan-3-yl)pyrimidine?
2-(dioxan-3-yl)pyrimidine has a molecular weight of 166.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxan-3-yl)pyrimidine is sourced from PubChem (CID 21290443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).