4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine

C11H13N5O — CID 3071754

IUPAC4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine
SMILESc1cn(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O/c1-2-13-11(15-5-7-17-8-6-15)14-10(1)16-4-3-12-9-16/h1-4,9H,5-8H2
InChIKeyXCFYLNBPVWCBMI-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds2

About 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine

4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine (PubChem CID 3071754) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine
PubChem CID3071754
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine
SMILESc1cn(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O/c1-2-13-11(15-5-7-17-8-6-15)14-10(1)16-4-3-12-9-16/h1-4,9H,5-8H2
InChIKeyXCFYLNBPVWCBMI-UHFFFAOYSA-N
XLogP0.50
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine (CID 3071754) is 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine is c1cn(-c2ccnc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine?
The InChIKey is XCFYLNBPVWCBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-13-11(15-5-7-17-8-6-15)14-10(1)16-4-3-12-9-16/h1-4,9H,5-8H2.
What are the key properties of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine?
4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine has a molecular weight of 231.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 3071754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).