5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione

C10H15BrN2O3 — CID 23274443

IUPAC5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCOn1c(=O)[nH]c(CCC)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-3-5-7-8(11)9(14)13(10(15)12-7)16-6-4-2/h3-6H2,1-2H3,(H,12,15)
InChIKeyNTVFSUUWNGTALZ-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.09
Rot. Bonds5

About 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione

5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 23274443) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID23274443
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCOn1c(=O)[nH]c(CCC)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O3/c1-3-5-7-8(11)9(14)13(10(15)12-7)16-6-4-2/h3-6H2,1-2H3,(H,12,15)
InChIKeyNTVFSUUWNGTALZ-UHFFFAOYSA-N
XLogP1.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-propylpyrimidine-2,4(1H,3H)-dione
CID 13384066
5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
5-bromo-6-pentyl-1H-pyrimidine-2,4-dione
CID 235881
3-Eto-5-BR-6-ME-pyrimidin-2,4-dione
CID 23273781
3-Pro-5-BR-6-ME-pyrimidin-2,4-dione
CID 23273964
3-Ipro-5-BR-6-ME-pyrimidi-2,4-dione
CID 23273965
3-Buo-5-BR-6-ME-pyrimidin-2,4-dione
CID 23274187
3-Ibuo-5-BR-6-ME-pyrimidin-2,4-dion
CID 23274188
3-Sbuo-5-BR-6-ME-pyrimidin-2,4-dion
CID 23274189
6-(2-amino-2-methylpropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866870
5-bromo-6-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 104327175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione (CID 23274443) is 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione is CCCOn1c(=O)[nH]c(CCC)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is NTVFSUUWNGTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-3-5-7-8(11)9(14)13(10(15)12-7)16-6-4-2/h3-6H2,1-2H3,(H,12,15).
What are the key properties of 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione?
5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 291.15 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propoxy-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23274443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).