2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one

C20H21FN4O3 — CID 21073980

IUPAC2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCCO)c2)c1=O
InChIInChI=1S/C20H21FN4O3/c1-2-25-19(28)17(14-7-8-16(27)24(12-14)9-4-10-26)18(23-20(25)22)13-5-3-6-15(21)11-13/h3,5-8,11-12,26H,2,4,9-10H2,1H3,(H2,22,23)
InChIKeyDEZLAISZEODGJF-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.86
Rot. Bonds6

About 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one

2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one (PubChem CID 21073980) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one
PubChem CID21073980
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one
SMILESCCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCCO)c2)c1=O
InChIInChI=1S/C20H21FN4O3/c1-2-25-19(28)17(14-7-8-16(27)24(12-14)9-4-10-26)18(23-20(25)22)13-5-3-6-15(21)11-13/h3,5-8,11-12,26H,2,4,9-10H2,1H3,(H2,22,23)
InChIKeyDEZLAISZEODGJF-UHFFFAOYSA-N
XLogP1.86
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one (CID 21073980) is 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one is CCn1c(N)nc(-c2cccc(F)c2)c(-c2ccc(=O)n(CCCO)c2)c1=O.
What is the InChIKey of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one?
The InChIKey is DEZLAISZEODGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-2-25-19(28)17(14-7-8-16(27)24(12-14)9-4-10-26)18(23-20(25)22)13-5-3-6-15(21)11-13/h3,5-8,11-12,26H,2,4,9-10H2,1H3,(H2,22,23).
What are the key properties of 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one?
2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one has a molecular weight of 384.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-(3-fluorophenyl)-5-[1-(3-hydroxypropyl)-6-oxo-3-pyridinyl]pyrimidin-4-one is sourced from PubChem (CID 21073980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).