4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine

C12H17N3O — CID 126848843

IUPAC4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1nc(C2CCCO2)cc(N2CCCC2)n1
InChIInChI=1S/C12H17N3O/c1-2-6-15(5-1)12-8-10(13-9-14-12)11-4-3-7-16-11/h8-9,11H,1-7H2
InChIKeyCWLDAOQEDRVYJJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.93
Rot. Bonds2

About 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine

4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 126848843) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID126848843
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1nc(C2CCCO2)cc(N2CCCC2)n1
InChIInChI=1S/C12H17N3O/c1-2-6-15(5-1)12-8-10(13-9-14-12)11-4-3-7-16-11/h8-9,11H,1-7H2
InChIKeyCWLDAOQEDRVYJJ-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine (CID 126848843) is 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine is c1nc(C2CCCO2)cc(N2CCCC2)n1.
What is the InChIKey of 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is CWLDAOQEDRVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-6-15(5-1)12-8-10(13-9-14-12)11-4-3-7-16-11/h8-9,11H,1-7H2.
What are the key properties of 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine?
4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 219.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 126848843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).