1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one

C10H14FN3O3 — CID 142053306

IUPAC1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
SMILESCNc1ccn(C2O[C@H](CO)C[C@@H]2F)c(=O)n1
InChIInChI=1S/C10H14FN3O3/c1-12-8-2-3-14(10(16)13-8)9-7(11)4-6(5-15)17-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16)/t6-,7-,9?/m0/s1
InChIKeyUHSOMNNJYGYJSI-ASLNEKEESA-N
MW243.24 g/mol
LogP-0.10
Rot. Bonds3

About 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one

1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one (PubChem CID 142053306) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
PubChem CID142053306
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
SMILESCNc1ccn(C2O[C@H](CO)C[C@@H]2F)c(=O)n1
InChIInChI=1S/C10H14FN3O3/c1-12-8-2-3-14(10(16)13-8)9-7(11)4-6(5-15)17-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16)/t6-,7-,9?/m0/s1
InChIKeyUHSOMNNJYGYJSI-ASLNEKEESA-N
XLogP-0.10
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 57270689
[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite
CID 170016723
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
N-[1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 123995055
1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
CID 59875116
N-[1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 10469892
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 123150382
N-[1-[(2S,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10853795
1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 56624884
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
2-amino-7-[(2R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683681
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one?
The IUPAC name of 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one (CID 142053306) is 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one?
The canonical SMILES for 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one is CNc1ccn(C2O[C@H](CO)C[C@@H]2F)c(=O)n1.
What is the InChIKey of 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one?
The InChIKey is UHSOMNNJYGYJSI-ASLNEKEESA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-12-8-2-3-14(10(16)13-8)9-7(11)4-6(5-15)17-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16)/t6-,7-,9?/m0/s1.
What are the key properties of 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one?
1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one has a molecular weight of 243.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 142053306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).