4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one

C11H18FN3O4 — CID 70821982

IUPAC4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(F)[C@H](O)[C@@H](CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C11H18FN3O4/c1-6(12)10(17)8(5-16)19-7(2)15-4-3-9(13)14-11(15)18/h3-4,6-8,10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6?,7?,8-,10+/m1/s1
InChIKeyZKABERYYWRFLIY-VUMZSGCYSA-N
MW275.28 g/mol
LogP-0.56
Rot. Bonds6

About 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one

4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one (PubChem CID 70821982) has the molecular formula C11H18FN3O4 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one
PubChem CID70821982
Molecular FormulaC11H18FN3O4
Molecular Weight275.28 g/mol
Exact Mass275.13
IUPAC Name4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(F)[C@H](O)[C@@H](CO)OC(C)n1ccc(N)nc1=O
InChIInChI=1S/C11H18FN3O4/c1-6(12)10(17)8(5-16)19-7(2)15-4-3-9(13)14-11(15)18/h3-4,6-8,10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6?,7?,8-,10+/m1/s1
InChIKeyZKABERYYWRFLIY-VUMZSGCYSA-N
XLogP-0.56
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one (CID 70821982) is 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one is CC(F)[C@H](O)[C@@H](CO)OC(C)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one?
The InChIKey is ZKABERYYWRFLIY-VUMZSGCYSA-N. The full InChI is InChI=1S/C11H18FN3O4/c1-6(12)10(17)8(5-16)19-7(2)15-4-3-9(13)14-11(15)18/h3-4,6-8,10,16-17H,5H2,1-2H3,(H2,13,14,18)/t6?,7?,8-,10+/m1/s1.
What are the key properties of 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one?
4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one has a molecular weight of 275.28 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-[(2R,3R)-4-fluoro-1,3-dihydroxypentan-2-yl]oxyethyl]pyrimidin-2-one is sourced from PubChem (CID 70821982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).