6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane

C8H13ClN2O2 — CID 153338091

IUPAC6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane
SMILESCC.Cc1c(CCl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2.C2H6/c1-3-4(2-7)8-6(11)9-5(3)10;1-2/h2H2,1H3,(H2,8,9,10,11);1-2H3
InChIKeyDBGWQTFIULTZOD-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.14
Rot. Bonds1

About 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane

6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane (PubChem CID 153338091) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane
PubChem CID153338091
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane
SMILESCC.Cc1c(CCl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2.C2H6/c1-3-4(2-7)8-6(11)9-5(3)10;1-2/h2H2,1H3,(H2,8,9,10,11);1-2H3
InChIKeyDBGWQTFIULTZOD-UHFFFAOYSA-N
XLogP1.14
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane?
The IUPAC name of 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane (CID 153338091) is 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane.
What is the SMILES notation for 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane?
The canonical SMILES for 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane is CC.Cc1c(CCl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane?
The InChIKey is DBGWQTFIULTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2.C2H6/c1-3-4(2-7)8-6(11)9-5(3)10;1-2/h2H2,1H3,(H2,8,9,10,11);1-2H3.
What are the key properties of 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane?
6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane has a molecular weight of 204.66 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-methyl-1H-pyrimidine-2,4-dione;ethane is sourced from PubChem (CID 153338091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).