(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine

C9H11BrN2OS — CID 825583

IUPAC(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCSc1nc(C)c2c(n1)O[C@H](CBr)C2
InChIInChI=1S/C9H11BrN2OS/c1-5-7-3-6(4-10)13-8(7)12-9(11-5)14-2/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyPUEGREVFTLGWLT-LURJTMIESA-N
MW275.17 g/mol
LogP2.21
Rot. Bonds2

About (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine

(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 825583) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID825583
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCSc1nc(C)c2c(n1)O[C@H](CBr)C2
InChIInChI=1S/C9H11BrN2OS/c1-5-7-3-6(4-10)13-8(7)12-9(11-5)14-2/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyPUEGREVFTLGWLT-LURJTMIESA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 825583) is (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine is CSc1nc(C)c2c(n1)O[C@H](CBr)C2.
What is the InChIKey of (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is PUEGREVFTLGWLT-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-5-7-3-6(4-10)13-8(7)12-9(11-5)14-2/h6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine?
(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 275.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 825583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).