4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine

C12H18N4O — CID 75485556

IUPAC4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
SMILESc1cc(C2CCCN2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N4O/c1-2-10(13-4-1)11-3-5-14-12(15-11)16-6-8-17-9-7-16/h3,5,10,13H,1-2,4,6-9H2
InChIKeyFQTKCSGTXZTWBK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.74
Rot. Bonds2

About 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine

4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine (PubChem CID 75485556) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
PubChem CID75485556
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
SMILESc1cc(C2CCCN2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N4O/c1-2-10(13-4-1)11-3-5-14-12(15-11)16-6-8-17-9-7-16/h3,5,10,13H,1-2,4,6-9H2
InChIKeyFQTKCSGTXZTWBK-UHFFFAOYSA-N
XLogP0.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine (CID 75485556) is 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine is c1cc(C2CCCN2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine?
The InChIKey is FQTKCSGTXZTWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-10(13-4-1)11-3-5-14-12(15-11)16-6-8-17-9-7-16/h3,5,10,13H,1-2,4,6-9H2.
What are the key properties of 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine?
4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine has a molecular weight of 234.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 75485556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).