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

C5H5FN2O2 — CID 59343540

IUPAC2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CF)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-2-3-7-4(9)1-5(10)8-3/h1H,2H2,(H2,7,8,9,10)
InChIKeyKSKKRTWBCQYQNB-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.05
Rot. Bonds1

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

2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 59343540) has the molecular formula C5H5FN2O2 and a molecular weight of 144.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID59343540
Molecular FormulaC5H5FN2O2
Molecular Weight144.11 g/mol
Exact Mass144.03
IUPAC Name2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CF)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-2-3-7-4(9)1-5(10)8-3/h1H,2H2,(H2,7,8,9,10)
InChIKeyKSKKRTWBCQYQNB-UHFFFAOYSA-N
XLogP-0.05
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
Dihydroxy-fluor-pyrimidin
CID 129637215
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-(Hydroxymethyl)-4,6-pyrimidinediol
CID 232790
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
Dihydroxypyrimidine carboxamide
CID 129848816
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 59343540) is 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CF)[nH]1.
What is the InChIKey of 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KSKKRTWBCQYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-2-3-7-4(9)1-5(10)8-3/h1H,2H2,(H2,7,8,9,10).
What are the key properties of 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 144.11 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 59343540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).