(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol

C7H9BrN2O2S — CID 134558853

IUPAC(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol
SMILESCO[C@@H](O)c1nc(SC)ncc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3,6,11H,1-2H3/t6-/m1/s1
InChIKeyBXPVOXKLIXPTBZ-ZCFIWIBFSA-N
MW265.13 g/mol
LogP1.60
Rot. Bonds3

About (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol

(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol (PubChem CID 134558853) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol.

Molecular Properties

Compound Name(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol
PubChem CID134558853
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol
SMILESCO[C@@H](O)c1nc(SC)ncc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3,6,11H,1-2H3/t6-/m1/s1
InChIKeyBXPVOXKLIXPTBZ-ZCFIWIBFSA-N
XLogP1.60
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethoxymethyl)-2-(methylsulfanyl)pyrimidine
CID 15407007
(5-Bromopyrimidin-4-yl)methanol
CID 52987791
(2-Chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol
CID 130270139
[Hydroxy-(2-methylsulfanylpyrimidin-4-yl)methyl] propanoate
CID 22005502
5-Bromo-4-(dimethoxymethyl)pyrimidin-2-amine
CID 45036931
(5-Bromo-2-(methylthio)pyrimidin-4-yl)methanol
CID 66524860
5-Bromo-4-(methoxymethyl)pyrimidine
CID 82374789
5-Bromo-4-(methoxymethyl)-2-pyrimidinamine
CID 86058804
5-Bromo-4-(ethoxymethyl)pyrimidin-2-amine
CID 86058841
5-Bromo-2-(dimethylamino)-4-pyrimidinemethanol
CID 89522331
(5-Bromo-2-(methylthio)pyrimidin-4-yl)methyl methanesulfonate
CID 118028783
(5-Bromo-2-methoxypyrimidin-4-yl)methanol
CID 118157039

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol?
The IUPAC name of (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol (CID 134558853) is (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol.
What is the SMILES notation for (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol?
The canonical SMILES for (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol is CO[C@@H](O)c1nc(SC)ncc1Br.
What is the InChIKey of (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol?
The InChIKey is BXPVOXKLIXPTBZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3,6,11H,1-2H3/t6-/m1/s1.
What are the key properties of (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol?
(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol has a molecular weight of 265.13 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol is sourced from PubChem (CID 134558853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).