[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone

C15H13Cl2N3O2 — CID 138685407

IUPAC[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)nc(Cl)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-9-12(18-15(17)19-13)10-1-3-11(4-2-10)14(21)20-5-7-22-8-6-20/h1-4,9H,5-8H2
InChIKeyHSILTGMHCNIKIG-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.92
Rot. Bonds2

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

[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 138685407) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID138685407
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)nc(Cl)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H13Cl2N3O2/c16-13-9-12(18-15(17)19-13)10-1-3-11(4-2-10)14(21)20-5-7-22-8-6-20/h1-4,9H,5-8H2
InChIKeyHSILTGMHCNIKIG-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone (CID 138685407) is [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cc(Cl)nc(Cl)n2)cc1)N1CCOCC1.
What is the InChIKey of [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is HSILTGMHCNIKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-13-9-12(18-15(17)19-13)10-1-3-11(4-2-10)14(21)20-5-7-22-8-6-20/h1-4,9H,5-8H2.
What are the key properties of [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone?
[4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 338.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichloropyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 138685407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).