2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one

C5H5ClN2O2 — CID 145174009

IUPAC2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1CO
InChIInChI=1S/C5H5ClN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1,9H,2H2,(H,7,8,10)
InChIKeyXGDJXIGNNXZSRM-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.08
Rot. Bonds1

About 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one

2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 145174009) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID145174009
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1CO
InChIInChI=1S/C5H5ClN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1,9H,2H2,(H,7,8,10)
InChIKeyXGDJXIGNNXZSRM-UHFFFAOYSA-N
XLogP-0.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Hydroxymethyl)-2-methylpyrimidin-4-ol
CID 14779126
5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 130123874
5-(Hydroxymethyl)pyrimidin-4(3H)-one
CID 19690702
5-(hydroxymethyl)-6-oxo-1H-pyrimidine-2-carboxamide
CID 132205751
2-amino-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133626288
2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one
CID 134290178
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
CID 145174008
5-(hydroxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 295772
azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate
CID 50912142
2-(dimethylamino)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133630670
5-(hydroxymethyl)-2-(methylamino)-1H-pyrimidin-6-one
CID 133664891
5-(Hydroxymethyl)-2-(trichloromethyl)-3,4-dihydropyrimidin-4-one
CID 165467455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 145174009) is 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one is O=c1[nH]c(Cl)ncc1CO.
What is the InChIKey of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is XGDJXIGNNXZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-5-7-1-3(2-9)4(10)8-5/h1,9H,2H2,(H,7,8,10).
What are the key properties of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 160.56 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 145174009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).