5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one

C8H10BrN3OS — CID 136970719

IUPAC5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCSCC2)c1Br
InChIInChI=1S/C8H10BrN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyUSJXLANGBYMLDR-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.09
Rot. Bonds1

About 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one

5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136970719) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136970719
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCSCC2)c1Br
InChIInChI=1S/C8H10BrN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyUSJXLANGBYMLDR-UHFFFAOYSA-N
XLogP1.09
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 114791295
5-bromo-4-[2-(dimethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 114791325
5-bromo-4-(2-prop-2-enylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842321
5-bromo-4-(2-prop-2-ynylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842332
5-bromo-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136865941
5-bromo-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876842
5-bromo-4-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136957518
5-bromo-4-(1-oxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136957606
4-(2,6-dimethylthiomorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957898
5-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957900
5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136970718
5-bromo-4-(1,4-thiazepan-4-yl)-1H-pyrimidin-6-one
CID 136970986

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one (CID 136970719) is 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCSCC2)c1Br.
What is the InChIKey of 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is USJXLANGBYMLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 276.16 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136970719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).