4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one

C10H13F2N3O2 — CID 11572312

IUPAC4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one
SMILESC[C@@]1(F)[C@@H](CO)C[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H13F2N3O2/c1-10(12)5(4-16)2-7(10)15-3-6(11)8(13)14-9(15)17/h3,5,7,16H,2,4H2,1H3,(H2,13,14,17)/t5-,7-,10-/m1/s1
InChIKeyKYXKNKBYNKWMJD-VISXPRAWSA-N
MW245.23 g/mol
LogP0.25
Rot. Bonds2

About 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one

4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one (PubChem CID 11572312) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one
PubChem CID11572312
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one
SMILESC[C@@]1(F)[C@@H](CO)C[C@H]1n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H13F2N3O2/c1-10(12)5(4-16)2-7(10)15-3-6(11)8(13)14-9(15)17/h3,5,7,16H,2,4H2,1H3,(H2,13,14,17)/t5-,7-,10-/m1/s1
InChIKeyKYXKNKBYNKWMJD-VISXPRAWSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2R,4R)-3,3-difluoro-4-(hydroxymethyl)thietan-2-yl]-5-fluoropyrimidin-2-one
CID 11666171
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 67784653
2-amino-9-[(1R,2S,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135445960
2-amino-9-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]-1H-purin-6-one
CID 135468005
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 15124185
4-amino-5-fluoro-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one;cyclopropane
CID 169190517
4-amino-5-fluoro-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70294697
4-amino-5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidin-2-one
CID 137477470
4-amino-5-fluoro-1-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 11776614
4-amino-5-fluoro-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
CID 69031672

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one (CID 11572312) is 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one is C[C@@]1(F)[C@@H](CO)C[C@H]1n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one?
The InChIKey is KYXKNKBYNKWMJD-VISXPRAWSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-10(12)5(4-16)2-7(10)15-3-6(11)8(13)14-9(15)17/h3,5,7,16H,2,4H2,1H3,(H2,13,14,17)/t5-,7-,10-/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one has a molecular weight of 245.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(1R,2R,3R)-2-fluoro-3-(hydroxymethyl)-2-methylcyclobutyl]pyrimidin-2-one is sourced from PubChem (CID 11572312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).