3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride

C14H19ClN2O3 — CID 151410881

IUPAC3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride
SMILESCC(C)n1cc(C(=O)Cl)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)16-8-11(12(15)18)13(19)17(14(16)20)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyOYMNQHJRFHMJPS-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.48
Rot. Bonds3

About 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride

3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride (PubChem CID 151410881) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride
PubChem CID151410881
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride
SMILESCC(C)n1cc(C(=O)Cl)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)16-8-11(12(15)18)13(19)17(14(16)20)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyOYMNQHJRFHMJPS-UHFFFAOYSA-N
XLogP2.48
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride?
The IUPAC name of 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride (CID 151410881) is 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride.
What is the SMILES notation for 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride?
The canonical SMILES for 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride is CC(C)n1cc(C(=O)Cl)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride?
The InChIKey is OYMNQHJRFHMJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)16-8-11(12(15)18)13(19)17(14(16)20)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride?
3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride has a molecular weight of 298.77 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl chloride is sourced from PubChem (CID 151410881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).