6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate

C14H20N2O4 — CID 170124459

IUPAC6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-11(2)13(18)20-10-6-4-3-5-8-16-9-7-12(17)15-14(16)19/h7,9H,1,3-6,8,10H2,2H3,(H,15,17,19)
InChIKeyRKRSSTAHNFFINO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.22
Rot. Bonds8

About 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate

6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate (PubChem CID 170124459) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
PubChem CID170124459
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O4/c1-11(2)13(18)20-10-6-4-3-5-8-16-9-7-12(17)15-14(16)19/h7,9H,1,3-6,8,10H2,2H3,(H,15,17,19)
InChIKeyRKRSSTAHNFFINO-UHFFFAOYSA-N
XLogP1.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
6-[2,4-dioxo-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrimidin-1-yl]hexyl 2-methylprop-2-enoate
CID 170124950
11-(4-oxo-2-sulfanylidenepyrimidin-1-yl)undecyl propanoate
CID 169034317
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
1-[6-(1-phenylethenylsulfanyl)hexyl]pyrimidine-2,4-dione
CID 170124569
6-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)hexyl 2-methylprop-2-enoate
CID 169034471
8-[3-(2,4-dioxopyrimidin-1-yl)propyl-(8-octoxy-8-oxooctyl)amino]octanoic acid
CID 174320844

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate (CID 170124459) is 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate?
The InChIKey is RKRSSTAHNFFINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(2)13(18)20-10-6-4-3-5-8-16-9-7-12(17)15-14(16)19/h7,9H,1,3-6,8,10H2,2H3,(H,15,17,19).
What are the key properties of 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate?
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 170124459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).