1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

C18H21FN4O2 — CID 118740186

IUPAC1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2nc(N(C)C)ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O2/c1-12(24)23-7-8-25-16(11-23)17-15(10-20-18(21-17)22(2)3)13-5-4-6-14(19)9-13/h4-6,9-10,16H,7-8,11H2,1-3H3
InChIKeyYJKCCQRSZFHEOV-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.27
Rot. Bonds3

About 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 118740186) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
PubChem CID118740186
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2nc(N(C)C)ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O2/c1-12(24)23-7-8-25-16(11-23)17-15(10-20-18(21-17)22(2)3)13-5-4-6-14(19)9-13/h4-6,9-10,16H,7-8,11H2,1-3H3
InChIKeyYJKCCQRSZFHEOV-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 118740186) is 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(c2nc(N(C)C)ncc2-c2cccc(F)c2)C1.
What is the InChIKey of 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The InChIKey is YJKCCQRSZFHEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12(24)23-7-8-25-16(11-23)17-15(10-20-18(21-17)22(2)3)13-5-4-6-14(19)9-13/h4-6,9-10,16H,7-8,11H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 118740186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).