4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one

C9H14FN3O3 — CID 142858483

IUPAC4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
SMILESCCC(OCCO)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O3/c1-2-7(16-4-3-14)13-5-6(10)8(11)12-9(13)15/h5,7,14H,2-4H2,1H3,(H2,11,12,15)
InChIKeyPSEYYSNFCNXVNF-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.12
Rot. Bonds5

About 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one

4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one (PubChem CID 142858483) has the molecular formula C9H14FN3O3 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
PubChem CID142858483
Molecular FormulaC9H14FN3O3
Molecular Weight231.23 g/mol
Exact Mass231.10
IUPAC Name4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
SMILESCCC(OCCO)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O3/c1-2-7(16-4-3-14)13-5-6(10)8(11)12-9(13)15/h5,7,14H,2-4H2,1H3,(H2,11,12,15)
InChIKeyPSEYYSNFCNXVNF-UHFFFAOYSA-N
XLogP-0.12
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 467473
4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 482105
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 478454
4-Amino-5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
CID 44271599
4-Amino-1-[2,2-difluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 15659075
4-Amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 15659077
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one
CID 70853207
4-amino-5-fluoro-1-[(1R)-1-(2-hydroxy-1-sulfanylethoxy)ethyl]pyrimidin-2-one
CID 88894414
4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one
CID 90339180
4-amino-1-[(1R,2S)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]-5-methylpyrimidin-2-one
CID 117959475
4-Amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
CID 123741792

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one (CID 142858483) is 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one is CCC(OCCO)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The InChIKey is PSEYYSNFCNXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3/c1-2-7(16-4-3-14)13-5-6(10)8(11)12-9(13)15/h5,7,14H,2-4H2,1H3,(H2,11,12,15).
What are the key properties of 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one has a molecular weight of 231.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one is sourced from PubChem (CID 142858483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).