4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one

C11H18FN3O3 — CID 90339180

IUPAC4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one
SMILESC[C@@H](CO)O[C@@H](n1ccc(N)nc1=O)C(C)(C)F
InChIInChI=1S/C11H18FN3O3/c1-7(6-16)18-9(11(2,3)12)15-5-4-8(13)14-10(15)17/h4-5,7,9,16H,6H2,1-3H3,(H2,13,14,17)/t7-,9+/m0/s1
InChIKeyXJLNIPNRDPMOLR-IONNQARKSA-N
MW259.28 g/mol
LogP0.47
Rot. Bonds5

About 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one

4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one (PubChem CID 90339180) has the molecular formula C11H18FN3O3 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one
PubChem CID90339180
Molecular FormulaC11H18FN3O3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one
SMILESC[C@@H](CO)O[C@@H](n1ccc(N)nc1=O)C(C)(C)F
InChIInChI=1S/C11H18FN3O3/c1-7(6-16)18-9(11(2,3)12)15-5-4-8(13)14-10(15)17/h4-5,7,9,16H,6H2,1-3H3,(H2,13,14,17)/t7-,9+/m0/s1
InChIKeyXJLNIPNRDPMOLR-IONNQARKSA-N
XLogP0.47
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 68029457
4-amino-1-[[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one
CID 68061477
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one (CID 90339180) is 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one is C[C@@H](CO)O[C@@H](n1ccc(N)nc1=O)C(C)(C)F.
What is the InChIKey of 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one?
The InChIKey is XJLNIPNRDPMOLR-IONNQARKSA-N. The full InChI is InChI=1S/C11H18FN3O3/c1-7(6-16)18-9(11(2,3)12)15-5-4-8(13)14-10(15)17/h4-5,7,9,16H,6H2,1-3H3,(H2,13,14,17)/t7-,9+/m0/s1.
What are the key properties of 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one?
4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one has a molecular weight of 259.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-2-fluoro-1-[(2S)-1-hydroxypropan-2-yl]oxy-2-methylpropyl]pyrimidin-2-one is sourced from PubChem (CID 90339180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).