1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione

C14H20N2O4 — CID 662685

IUPAC1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-2-10(17)11-12(18)15-14(20)16(13(11)19)9-7-5-3-4-6-8-9/h9,19H,2-8H2,1H3,(H,15,18,20)
InChIKeyJMAVSXFJLSIFDV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.73
Rot. Bonds3

About 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione

1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione (PubChem CID 662685) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
PubChem CID662685
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-2-10(17)11-12(18)15-14(20)16(13(11)19)9-7-5-3-4-6-8-9/h9,19H,2-8H2,1H3,(H,15,18,20)
InChIKeyJMAVSXFJLSIFDV-UHFFFAOYSA-N
XLogP1.73
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
CID 663021
5-Acetyl-1-cycloheptyl-6-hydroxypyrimidine-2,4-dione
CID 663253
5-Acetyl-3-cycloheptyl-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
CID 40489948
3-Cycloheptyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
CID 40619861
3-Cyclohexyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
CID 44820679
N,N-dimethylmethanamine;6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 137209076
5-acetyl-1-cyclohexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
CID 4900440
5-Butyl-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 53804158
6-Hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 909121
6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4(1H,3H)-dione
CID 920104
1-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 1399143

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The IUPAC name of 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione (CID 662685) is 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione is CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The InChIKey is JMAVSXFJLSIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-10(17)11-12(18)15-14(20)16(13(11)19)9-7-5-3-4-6-8-9/h9,19H,2-8H2,1H3,(H,15,18,20).
What are the key properties of 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione has a molecular weight of 280.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 662685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).