6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione

C13H19ClN2O2 — CID 113404478

IUPAC6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(CC2CCCCC2)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-2-10-11(14)15-13(18)16(12(10)17)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,18)
InChIKeyXYUPUAUYQPEBKQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.33
Rot. Bonds3

About 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione

6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 113404478) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
PubChem CID113404478
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(CC2CCCCC2)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-2-10-11(14)15-13(18)16(12(10)17)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,18)
InChIKeyXYUPUAUYQPEBKQ-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione (CID 113404478) is 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(CC2CCCCC2)c1=O.
What is the InChIKey of 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is XYUPUAUYQPEBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-10-11(14)15-13(18)16(12(10)17)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,18).
What are the key properties of 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 270.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).