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

C7H11ClN2O2 — CID 145174008

IUPAC2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
SMILESCC.O=c1[nH]c(Cl)ncc1CO
InChIInChI=1S/C5H5ClN2O2.C2H6/c6-5-7-1-3(2-9)4(10)8-5;1-2/h1,9H,2H2,(H,7,8,10);1-2H3
InChIKeyICILEZJGMXSKPG-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.94
Rot. Bonds1

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

2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane (PubChem CID 145174008) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
PubChem CID145174008
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
SMILESCC.O=c1[nH]c(Cl)ncc1CO
InChIInChI=1S/C5H5ClN2O2.C2H6/c6-5-7-1-3(2-9)4(10)8-5;1-2/h1,9H,2H2,(H,7,8,10);1-2H3
InChIKeyICILEZJGMXSKPG-UHFFFAOYSA-N
XLogP0.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Hydroxymethyl)-2-methylpyrimidin-4-ol
CID 14779126
5-(Hydroxymethyl)pyrimidin-4(3H)-one
CID 19690702
2-amino-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133626288
2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one
CID 134290178
5-(hydroxymethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 295772
4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidine-5-carboxamide
CID 21791187
azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate
CID 50912142
5-(Hydroxymethyl)-3-methylpyrimidin-4(3H)-one
CID 83872323
2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 126974108
2-(dimethylamino)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133630670
5-(hydroxymethyl)-2-(methylamino)-1H-pyrimidin-6-one
CID 133664891
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 145174009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane?
The IUPAC name of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane (CID 145174008) is 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane is CC.O=c1[nH]c(Cl)ncc1CO.
What is the InChIKey of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane?
The InChIKey is ICILEZJGMXSKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2.C2H6/c6-5-7-1-3(2-9)4(10)8-5;1-2/h1,9H,2H2,(H,7,8,10);1-2H3.
What are the key properties of 2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane?
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane has a molecular weight of 190.63 g/mol, XLogP of 0.94, 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;ethane is sourced from PubChem (CID 145174008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).