(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

C9H11BrN2O — CID 27376638

IUPAC(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@@H](CBr)C2
InChIInChI=1S/C9H11BrN2O/c1-5-8-3-7(4-10)13-9(8)12-6(2)11-5/h7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLRKSRMVQLTUVOM-SSDOTTSWSA-N
MW243.10 g/mol
LogP1.79
Rot. Bonds1

About (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 27376638) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID27376638
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)O[C@@H](CBr)C2
InChIInChI=1S/C9H11BrN2O/c1-5-8-3-7(4-10)13-9(8)12-6(2)11-5/h7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLRKSRMVQLTUVOM-SSDOTTSWSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 27376638) is (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)O[C@@H](CBr)C2.
What is the InChIKey of (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is LRKSRMVQLTUVOM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-5-8-3-7(4-10)13-9(8)12-6(2)11-5/h7H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 243.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 27376638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).