5-bromo-2,4-di(propan-2-yloxy)pyrimidine

C10H15BrN2O2 — CID 67514127

IUPAC5-bromo-2,4-di(propan-2-yloxy)pyrimidine
SMILESCC(C)Oc1ncc(Br)c(OC(C)C)n1
InChIInChI=1S/C10H15BrN2O2/c1-6(2)14-9-8(11)5-12-10(13-9)15-7(3)4/h5-7H,1-4H3
InChIKeySNJHZVRIKXRSSR-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.81
Rot. Bonds4

About 5-bromo-2,4-di(propan-2-yloxy)pyrimidine

5-bromo-2,4-di(propan-2-yloxy)pyrimidine (PubChem CID 67514127) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-2,4-di(propan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-di(propan-2-yloxy)pyrimidine
PubChem CID67514127
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-2,4-di(propan-2-yloxy)pyrimidine
SMILESCC(C)Oc1ncc(Br)c(OC(C)C)n1
InChIInChI=1S/C10H15BrN2O2/c1-6(2)14-9-8(11)5-12-10(13-9)15-7(3)4/h5-7H,1-4H3
InChIKeySNJHZVRIKXRSSR-UHFFFAOYSA-N
XLogP2.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-di(propan-2-yloxy)pyrimidine?
The IUPAC name of 5-bromo-2,4-di(propan-2-yloxy)pyrimidine (CID 67514127) is 5-bromo-2,4-di(propan-2-yloxy)pyrimidine.
What is the SMILES notation for 5-bromo-2,4-di(propan-2-yloxy)pyrimidine?
The canonical SMILES for 5-bromo-2,4-di(propan-2-yloxy)pyrimidine is CC(C)Oc1ncc(Br)c(OC(C)C)n1.
What is the InChIKey of 5-bromo-2,4-di(propan-2-yloxy)pyrimidine?
The InChIKey is SNJHZVRIKXRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-6(2)14-9-8(11)5-12-10(13-9)15-7(3)4/h5-7H,1-4H3.
What are the key properties of 5-bromo-2,4-di(propan-2-yloxy)pyrimidine?
5-bromo-2,4-di(propan-2-yloxy)pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-di(propan-2-yloxy)pyrimidine is sourced from PubChem (CID 67514127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).