(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone

C10H11BrN2O2 — CID 130565415

IUPAC(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone
SMILESO=C(c1ncncc1Br)C1CCOCC1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-12-6-13-9(8)10(14)7-1-3-15-4-2-7/h5-7H,1-4H2
InChIKeyZAVXBXWCMMEGMJ-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.85
Rot. Bonds2

About (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone

(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone (PubChem CID 130565415) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone
PubChem CID130565415
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone
SMILESO=C(c1ncncc1Br)C1CCOCC1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-12-6-13-9(8)10(14)7-1-3-15-4-2-7/h5-7H,1-4H2
InChIKeyZAVXBXWCMMEGMJ-UHFFFAOYSA-N
XLogP1.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone (CID 130565415) is (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone is O=C(c1ncncc1Br)C1CCOCC1.
What is the InChIKey of (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone?
The InChIKey is ZAVXBXWCMMEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-5-12-6-13-9(8)10(14)7-1-3-15-4-2-7/h5-7H,1-4H2.
What are the key properties of (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone?
(5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone has a molecular weight of 271.11 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-4-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 130565415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).