5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine

C12H14BrClN2O2 — CID 134854426

IUPAC5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
SMILESClc1nc([C@@H]2CCCO2)c(Br)c([C@H]2CCCO2)n1
InChIInChI=1S/C12H14BrClN2O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h7-8H,1-6H2/t7-,8+
InChIKeySPTMHALTBJYCES-OCAPTIKFSA-N
MW333.61 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine

5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine (PubChem CID 134854426) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
PubChem CID134854426
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
SMILESClc1nc([C@@H]2CCCO2)c(Br)c([C@H]2CCCO2)n1
InChIInChI=1S/C12H14BrClN2O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h7-8H,1-6H2/t7-,8+
InChIKeySPTMHALTBJYCES-OCAPTIKFSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine?
The IUPAC name of 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine (CID 134854426) is 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine is Clc1nc([C@@H]2CCCO2)c(Br)c([C@H]2CCCO2)n1.
What is the InChIKey of 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine?
The InChIKey is SPTMHALTBJYCES-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c13-9-10(7-3-1-5-17-7)15-12(14)16-11(9)8-4-2-6-18-8/h7-8H,1-6H2/t7-,8+.
What are the key properties of 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine?
5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine has a molecular weight of 333.61 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine is sourced from PubChem (CID 134854426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).