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

C11H15Cl2N5O — CID 3071753

IUPAC4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1cn(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O.2ClH/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;2*1H
InChIKeyXWXCPBIAPSFNFX-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.34
Rot. Bonds2

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

4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride (PubChem CID 3071753) has the molecular formula C11H15Cl2N5O and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride
PubChem CID3071753
Molecular FormulaC11H15Cl2N5O
Molecular Weight304.18 g/mol
Exact Mass303.07
IUPAC Name4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1cn(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H13N5O.2ClH/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;2*1H
InChIKeyXWXCPBIAPSFNFX-UHFFFAOYSA-N
XLogP1.34
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride?
The IUPAC name of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride (CID 3071753) is 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride.
What is the SMILES notation for 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride?
The canonical SMILES for 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride is Cl.Cl.c1cn(-c2ccnc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride?
The InChIKey is XWXCPBIAPSFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O.2ClH/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;2*1H.
What are the key properties of 4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride?
4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine;dihydrochloride has a molecular weight of 304.18 g/mol, XLogP of 1.34, 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;dihydrochloride is sourced from PubChem (CID 3071753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).