5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one

C7H9BrN2OS — CID 609938

IUPAC5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyGNBCCOPVYFDQSJ-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one

5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 609938) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID609938
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyGNBCCOPVYFDQSJ-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4(3h)-Pyrimidinone, 2-(ethylthio)-5-fluoro-
CID 266536
6-Amino-5-bromo-2-(ethylthio)pyrimidin-4-ol
CID 135473140
5-Bromo-2-(methylsulfanyl)pyrimidin-4(3H)-one
CID 240565
4(1H)-Pyrimidinone, 2-(propylthio)-
CID 534217
5-bromo-2-decylsulfanyl-1H-pyrimidin-6-one
CID 72698037
5-bromo-2-dodecylsulfanyl-1H-pyrimidin-6-one
CID 72698176
5-bromo-2-tetradecylsulfanyl-1H-pyrimidin-6-one
CID 72698177
5-bromo-2-hexadecylsulfanyl-1H-pyrimidin-6-one
CID 72698178
2,5-bis(methylsulfanyl)-1H-pyrimidin-6-one
CID 243822
5-Bromo-2-(ethylsulfanyl)pyrimidin-4(3h)-one
CID 263421
5-bromo-2-octadecylsulfanyl-1H-pyrimidin-6-one
CID 72698179
Methyl [(5-bromo-4-hydroxypyrimidin-2-yl)thio]acetate
CID 26967464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one (CID 609938) is 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is GNBCCOPVYFDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one?
5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 249.13 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 609938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).