1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

C10H13FN2O4 — CID 67751450

IUPAC1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2C(F)C(CO)C2CO)c(=O)[nH]1
InChIInChI=1S/C10H13FN2O4/c11-8-5(3-14)6(4-15)9(8)13-2-1-7(16)12-10(13)17/h1-2,5-6,8-9,14-15H,3-4H2,(H,12,16,17)
InChIKeyJADIUCVQXRIEFD-UHFFFAOYSA-N
MW244.22 g/mol
LogP-1.35
Rot. Bonds3

About 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (PubChem CID 67751450) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
PubChem CID67751450
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2C(F)C(CO)C2CO)c(=O)[nH]1
InChIInChI=1S/C10H13FN2O4/c11-8-5(3-14)6(4-15)9(8)13-2-1-7(16)12-10(13)17/h1-2,5-6,8-9,14-15H,3-4H2,(H,12,16,17)
InChIKeyJADIUCVQXRIEFD-UHFFFAOYSA-N
XLogP-1.35
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2R,3R)-2-fluoro-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 66739562
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 10354357
1-[(2R,3R,4R,5S)-4,5-bis(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 126578655
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129150342
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121431962
1-[(3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118233305
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 25050618
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 5278750

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (CID 67751450) is 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is O=c1ccn(C2C(F)C(CO)C2CO)c(=O)[nH]1.
What is the InChIKey of 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The InChIKey is JADIUCVQXRIEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c11-8-5(3-14)6(4-15)9(8)13-2-1-7(16)12-10(13)17/h1-2,5-6,8-9,14-15H,3-4H2,(H,12,16,17).
What are the key properties of 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione has a molecular weight of 244.22 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67751450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).