5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione

C10H13BrN2O3 — CID 106801777

IUPAC5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
SMILESCCC(=O)CCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H13BrN2O3/c1-2-7(14)4-3-5-13-6-8(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)
InChIKeyKLUISYKYGWBBTL-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.06
Rot. Bonds5

About 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione

5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione (PubChem CID 106801777) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
PubChem CID106801777
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
SMILESCCC(=O)CCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H13BrN2O3/c1-2-7(14)4-3-5-13-6-8(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)
InChIKeyKLUISYKYGWBBTL-UHFFFAOYSA-N
XLogP1.06
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343
5-bromo-1-pent-3-ynylpyrimidine-2,4-dione
CID 104808254
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
5-bromo-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64566764
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione
CID 15539572
ethyl (E)-4-(5-bromo-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 80546453
5-bromo-1-[3-(cyclopentylamino)propyl]pyrimidine-2,4-dione
CID 63777627
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetaldehyde
CID 63776711
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione (CID 106801777) is 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione is CCC(=O)CCCn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione?
The InChIKey is KLUISYKYGWBBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-2-7(14)4-3-5-13-6-8(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16).
What are the key properties of 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione?
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione has a molecular weight of 289.13 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106801777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).