(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone

C9H9Cl2N3O2 — CID 155973292

IUPAC(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)nc(Cl)n1)N1CCOCC1
InChIInChI=1S/C9H9Cl2N3O2/c10-7-5-6(12-9(11)13-7)8(15)14-1-3-16-4-2-14/h5H,1-4H2
InChIKeyGGLYXTOGBORYMO-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.26
Rot. Bonds1

About (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone

(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone (PubChem CID 155973292) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone
PubChem CID155973292
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)nc(Cl)n1)N1CCOCC1
InChIInChI=1S/C9H9Cl2N3O2/c10-7-5-6(12-9(11)13-7)8(15)14-1-3-16-4-2-14/h5H,1-4H2
InChIKeyGGLYXTOGBORYMO-UHFFFAOYSA-N
XLogP1.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone (CID 155973292) is (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone is O=C(c1cc(Cl)nc(Cl)n1)N1CCOCC1.
What is the InChIKey of (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is GGLYXTOGBORYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c10-7-5-6(12-9(11)13-7)8(15)14-1-3-16-4-2-14/h5H,1-4H2.
What are the key properties of (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone?
(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 262.10 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 155973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).