2,4-bis(oxolan-2-yl)pyrimidine

C12H16N2O2 — CID 69115881

IUPAC2,4-bis(oxolan-2-yl)pyrimidine
SMILESc1cc(C2CCCO2)nc(C2CCCO2)n1
InChIInChI=1S/C12H16N2O2/c1-3-10(15-7-1)9-5-6-13-12(14-9)11-4-2-8-16-11/h5-6,10-11H,1-4,7-8H2
InChIKeyYACCMZZYODYVQQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds2

About 2,4-bis(oxolan-2-yl)pyrimidine

2,4-bis(oxolan-2-yl)pyrimidine (PubChem CID 69115881) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,4-bis(oxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(oxolan-2-yl)pyrimidine
PubChem CID69115881
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2,4-bis(oxolan-2-yl)pyrimidine
SMILESc1cc(C2CCCO2)nc(C2CCCO2)n1
InChIInChI=1S/C12H16N2O2/c1-3-10(15-7-1)9-5-6-13-12(14-9)11-4-2-8-16-11/h5-6,10-11H,1-4,7-8H2
InChIKeyYACCMZZYODYVQQ-UHFFFAOYSA-N
XLogP2.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(oxolan-2-yl)pyrimidine?
The IUPAC name of 2,4-bis(oxolan-2-yl)pyrimidine (CID 69115881) is 2,4-bis(oxolan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-bis(oxolan-2-yl)pyrimidine?
The canonical SMILES for 2,4-bis(oxolan-2-yl)pyrimidine is c1cc(C2CCCO2)nc(C2CCCO2)n1.
What is the InChIKey of 2,4-bis(oxolan-2-yl)pyrimidine?
The InChIKey is YACCMZZYODYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-10(15-7-1)9-5-6-13-12(14-9)11-4-2-8-16-11/h5-6,10-11H,1-4,7-8H2.
What are the key properties of 2,4-bis(oxolan-2-yl)pyrimidine?
2,4-bis(oxolan-2-yl)pyrimidine has a molecular weight of 220.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(oxolan-2-yl)pyrimidine is sourced from PubChem (CID 69115881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).