1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one

C16H20FN3O2 — CID 90051785

IUPAC1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(C)CC(=O)N1c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C16H20FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-14(17)15(10-13)19-5-7-22-8-6-19/h3-4,10-11H,5-9H2,1-2H3
InChIKeyHHZXQZDKJVFQDQ-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one

1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 90051785) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one
PubChem CID90051785
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(C)CC(=O)N1c1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C16H20FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-14(17)15(10-13)19-5-7-22-8-6-19/h3-4,10-11H,5-9H2,1-2H3
InChIKeyHHZXQZDKJVFQDQ-UHFFFAOYSA-N
XLogP2.21
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one (CID 90051785) is 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one is CC1=NC(C)CC(=O)N1c1ccc(F)c(N2CCOCC2)c1.
What is the InChIKey of 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is HHZXQZDKJVFQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-14(17)15(10-13)19-5-7-22-8-6-19/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one?
1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 305.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 90051785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).