2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one

C6H7FN2O2 — CID 170305590

IUPAC2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCF)[nH]1
InChIInChI=1S/C6H7FN2O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1-2H2,(H2,8,9,10,11)
InChIKeyDHKRNSLGFGSAKZ-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.01
Rot. Bonds2

About 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 170305590) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID170305590
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CCF)[nH]1
InChIInChI=1S/C6H7FN2O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1-2H2,(H2,8,9,10,11)
InChIKeyDHKRNSLGFGSAKZ-UHFFFAOYSA-N
XLogP-0.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895
2-Cyclopropyl-5-fluoropyrimidine-4,6-diol
CID 10214419
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 59343587

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 170305590) is 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CCF)[nH]1.
What is the InChIKey of 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DHKRNSLGFGSAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-2-1-4-8-5(10)3-6(11)9-4/h3H,1-2H2,(H2,8,9,10,11).
What are the key properties of 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 158.13 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 170305590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).