4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

C10H14FN3O3 — CID 59795837

IUPAC4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOC[C@H]1CC[C@@H](n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C10H14FN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6-,8+/m1/s1
InChIKeyFTVZJCZTMWYEKR-SVRRBLITSA-N
MW243.24 g/mol
LogP0.29
Rot. Bonds3

About 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 59795837) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID59795837
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOC[C@H]1CC[C@@H](n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C10H14FN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6-,8+/m1/s1
InChIKeyFTVZJCZTMWYEKR-SVRRBLITSA-N
XLogP0.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 59795837) is 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is COC[C@H]1CC[C@@H](n2cc(F)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is FTVZJCZTMWYEKR-SVRRBLITSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6-,8+/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 243.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 59795837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).