5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione

C12H16N2O3 — CID 80643119

IUPAC5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17)
InChIKeyNNWVYXBPVXOQIJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.24
Rot. Bonds2

About 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione

5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione (PubChem CID 80643119) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione
PubChem CID80643119
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17)
InChIKeyNNWVYXBPVXOQIJ-UHFFFAOYSA-N
XLogP1.24
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
5-acetyl-1-[10-(5-acetyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)decyl]-2,4(1H,3H)-pyrimidinedione
CID 3656060
5-acetyl-1-decylpyrimidine-2,4(1H,3H)-dione
CID 1815357
1-Cyclohexylthymine
CID 96032
6-amino-5-[(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 729488
5-acetyl-1-[7-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)heptyl]pyrimidine-2,4(1H,3H)-dione
CID 1815373
5-Acetyl-3-methyl-1-octan-2-ylpyrimidine-2,4-dione
CID 4196548
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione (CID 80643119) is 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The InChIKey is NNWVYXBPVXOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17).
What are the key properties of 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).