5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione

C10H15BrN2O3 — CID 23274442

IUPAC5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione
SMILESCCCCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-3-4-5-6-16-13-9(14)8(11)7(2)12-10(13)15/h3-6H2,1-2H3,(H,12,15)
InChIKeyXMYZYQBSHNCWTR-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.23
Rot. Bonds5

About 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione

5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione (PubChem CID 23274442) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione
PubChem CID23274442
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Name5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione
SMILESCCCCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-3-4-5-6-16-13-9(14)8(11)7(2)12-10(13)15/h3-6H2,1-2H3,(H,12,15)
InChIKeyXMYZYQBSHNCWTR-UHFFFAOYSA-N
XLogP1.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione (CID 23274442) is 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione is CCCCCOn1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione?
The InChIKey is XMYZYQBSHNCWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-3-4-5-6-16-13-9(14)8(11)7(2)12-10(13)15/h3-6H2,1-2H3,(H,12,15).
What are the key properties of 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione?
5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione has a molecular weight of 291.14 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-pentoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23274442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).