4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol

C10H11BrN2O — CID 141463405

IUPAC4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=C(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H11BrN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h1,5-6,9,14H,2-4H2
InChIKeyJSMIUSPGEBIMAS-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.17
Rot. Bonds1

About 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol

4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol (PubChem CID 141463405) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol
PubChem CID141463405
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=C(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H11BrN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h1,5-6,9,14H,2-4H2
InChIKeyJSMIUSPGEBIMAS-UHFFFAOYSA-N
XLogP2.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol (CID 141463405) is 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol is OC1CC=C(c2ncc(Br)cn2)CC1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol?
The InChIKey is JSMIUSPGEBIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h1,5-6,9,14H,2-4H2.
What are the key properties of 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol?
4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol has a molecular weight of 255.11 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 141463405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).