5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C12H19BrN2O2 — CID 818851

IUPAC5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKeyMAWUVEDTRZARNC-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.59
Rot. Bonds2

About 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 818851) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID818851
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKeyMAWUVEDTRZARNC-UHFFFAOYSA-N
XLogP3.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.59
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-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 818851) is 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1.
What is the InChIKey of 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is MAWUVEDTRZARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3.
What are the key properties of 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 303.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 818851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).