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

C10H16FN3O4 — CID 70918307

IUPAC4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(O[C@H](CO)C(O)CF)n1ccc(N)nc1=O
InChIInChI=1S/C10H16FN3O4/c1-6(18-8(5-15)7(16)4-11)14-3-2-9(12)13-10(14)17/h2-3,6-8,15-16H,4-5H2,1H3,(H2,12,13,17)/t6?,7?,8-/m1/s1
InChIKeyQNCBGGAMURNNLE-KAVNDROISA-N
MW261.25 g/mol
LogP-0.95
Rot. Bonds6

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

4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one (PubChem CID 70918307) has the molecular formula C10H16FN3O4 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
PubChem CID70918307
Molecular FormulaC10H16FN3O4
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
SMILESCC(O[C@H](CO)C(O)CF)n1ccc(N)nc1=O
InChIInChI=1S/C10H16FN3O4/c1-6(18-8(5-15)7(16)4-11)14-3-2-9(12)13-10(14)17/h2-3,6-8,15-16H,4-5H2,1H3,(H2,12,13,17)/t6?,7?,8-/m1/s1
InChIKeyQNCBGGAMURNNLE-KAVNDROISA-N
XLogP-0.95
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one (CID 70918307) is 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one is CC(O[C@H](CO)C(O)CF)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
The InChIKey is QNCBGGAMURNNLE-KAVNDROISA-N. The full InChI is InChI=1S/C10H16FN3O4/c1-6(18-8(5-15)7(16)4-11)14-3-2-9(12)13-10(14)17/h2-3,6-8,15-16H,4-5H2,1H3,(H2,12,13,17)/t6?,7?,8-/m1/s1.
What are the key properties of 4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one?
4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one has a molecular weight of 261.25 g/mol, XLogP of -0.95, 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)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one is sourced from PubChem (CID 70918307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).