5-bromo-4-propoxy-1H-pyrimidin-6-one

C7H9BrN2O2 — CID 114676228

IUPAC5-bromo-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-2-3-12-7-5(8)6(11)9-4-10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyDYRIPIJTVDLESQ-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.32
Rot. Bonds3

About 5-bromo-4-propoxy-1H-pyrimidin-6-one

5-bromo-4-propoxy-1H-pyrimidin-6-one (PubChem CID 114676228) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-propoxy-1H-pyrimidin-6-one
PubChem CID114676228
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-2-3-12-7-5(8)6(11)9-4-10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyDYRIPIJTVDLESQ-UHFFFAOYSA-N
XLogP1.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241784
5-bromo-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675908
5-bromo-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 114676158
5-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrimidin-6-one
CID 114676492
5-bromo-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 114676546
5-bromo-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 114676552
5-bromo-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676564
5-bromo-4-methoxy-1H-pyrimidin-6-one
CID 46705583
5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
5-bromo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179368
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-propoxy-1H-pyrimidin-6-one (CID 114676228) is 5-bromo-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-propoxy-1H-pyrimidin-6-one is CCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is DYRIPIJTVDLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-2-3-12-7-5(8)6(11)9-4-10-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 5-bromo-4-propoxy-1H-pyrimidin-6-one?
5-bromo-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 233.06 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).