4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

C12H17BrN4O — CID 889680

IUPAC4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1cnc(N2CCCC2)nc1N1CCOCC1
InChIInChI=1S/C12H17BrN4O/c13-10-9-14-12(17-3-1-2-4-17)15-11(10)16-5-7-18-8-6-16/h9H,1-8H2
InChIKeyMVERUOPYQDWKMP-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.68
Rot. Bonds2

About 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 889680) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID889680
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1cnc(N2CCCC2)nc1N1CCOCC1
InChIInChI=1S/C12H17BrN4O/c13-10-9-14-12(17-3-1-2-4-17)15-11(10)16-5-7-18-8-6-16/h9H,1-8H2
InChIKeyMVERUOPYQDWKMP-UHFFFAOYSA-N
XLogP1.68
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (CID 889680) is 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is Brc1cnc(N2CCCC2)nc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is MVERUOPYQDWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c13-10-9-14-12(17-3-1-2-4-17)15-11(10)16-5-7-18-8-6-16/h9H,1-8H2.
What are the key properties of 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 313.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 889680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).