[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone

C18H19Cl2N3O2 — CID 86859216

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)17-21-9-14(20)16(22-17)18(24)23-7-8-25-15(10-23)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyGXJIFNQKWRJFPM-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.12
Rot. Bonds3

About [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 86859216) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID86859216
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)17-21-9-14(20)16(22-17)18(24)23-7-8-25-15(10-23)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyGXJIFNQKWRJFPM-UHFFFAOYSA-N
XLogP4.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone (CID 86859216) is [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1ncc(Cl)c(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is GXJIFNQKWRJFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11(2)17-21-9-14(20)16(22-17)18(24)23-7-8-25-15(10-23)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 380.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 86859216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).