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

C11H14ClN5O — CID 3071747

IUPAC4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride
SMILESCl.c1cn(-c2nccc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O.ClH/c1-2-13-11(16-4-3-12-9-16)14-10(1)15-5-7-17-8-6-15;/h1-4,9H,5-8H2;1H
InChIKeyRGKYWHFBYIGLIR-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.92
Rot. Bonds2

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

4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride (PubChem CID 3071747) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride
PubChem CID3071747
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride
SMILESCl.c1cn(-c2nccc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O.ClH/c1-2-13-11(16-4-3-12-9-16)14-10(1)15-5-7-17-8-6-15;/h1-4,9H,5-8H2;1H
InChIKeyRGKYWHFBYIGLIR-UHFFFAOYSA-N
XLogP0.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride?
The IUPAC name of 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride (CID 3071747) is 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride is Cl.c1cn(-c2nccc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride?
The InChIKey is RGKYWHFBYIGLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O.ClH/c1-2-13-11(16-4-3-12-9-16)14-10(1)15-5-7-17-8-6-15;/h1-4,9H,5-8H2;1H.
What are the key properties of 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride?
4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine;hydrochloride is sourced from PubChem (CID 3071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).