6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione

C10H13ClN2O2 — CID 68655680

IUPAC6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(14)13(10(15)12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,15)
InChIKeyNKVKETRQSFONJI-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.70
Rot. Bonds1

About 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione

6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione (PubChem CID 68655680) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione
PubChem CID68655680
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(14)13(10(15)12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,15)
InChIKeyNKVKETRQSFONJI-UHFFFAOYSA-N
XLogP1.70
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione (CID 68655680) is 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The InChIKey is NKVKETRQSFONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-6-9(14)13(10(15)12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,15).
What are the key properties of 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione?
6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione has a molecular weight of 228.68 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).