3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol

C13H13BrN2O — CID 116899714

IUPAC3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
SMILESOCCCc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C13H13BrN2O/c14-11-5-2-1-4-10(11)12-7-8-15-13(16-12)6-3-9-17/h1-2,4-5,7-8,17H,3,6,9H2
InChIKeyVADCVIZJXKVYBE-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.83
Rot. Bonds4

About 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol

3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol (PubChem CID 116899714) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
PubChem CID116899714
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
SMILESOCCCc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C13H13BrN2O/c14-11-5-2-1-4-10(11)12-7-8-15-13(16-12)6-3-9-17/h1-2,4-5,7-8,17H,3,6,9H2
InChIKeyVADCVIZJXKVYBE-UHFFFAOYSA-N
XLogP2.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol (CID 116899714) is 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol is OCCCc1nccc(-c2ccccc2Br)n1.
What is the InChIKey of 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol?
The InChIKey is VADCVIZJXKVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-5-2-1-4-10(11)12-7-8-15-13(16-12)6-3-9-17/h1-2,4-5,7-8,17H,3,6,9H2.
What are the key properties of 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol?
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol has a molecular weight of 293.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol is sourced from PubChem (CID 116899714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).