2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane

C12H15BrN2 — CID 168922857

IUPAC2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane
SMILESBrc1cccc(C2N=CC=CN2)c1.CC
InChIInChI=1S/C10H9BrN2.C2H6/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10;1-2/h1-7,10,12H;1-2H3
InChIKeyQUEIJAGDVLDFGL-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.66
Rot. Bonds1

About 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane

2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane (PubChem CID 168922857) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane
PubChem CID168922857
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane
SMILESBrc1cccc(C2N=CC=CN2)c1.CC
InChIInChI=1S/C10H9BrN2.C2H6/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10;1-2/h1-7,10,12H;1-2H3
InChIKeyQUEIJAGDVLDFGL-UHFFFAOYSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane?
The IUPAC name of 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane (CID 168922857) is 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane.
What is the SMILES notation for 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane?
The canonical SMILES for 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane is Brc1cccc(C2N=CC=CN2)c1.CC.
What is the InChIKey of 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane?
The InChIKey is QUEIJAGDVLDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2.C2H6/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10;1-2/h1-7,10,12H;1-2H3.
What are the key properties of 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane?
2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane has a molecular weight of 267.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1,2-dihydropyrimidine;ethane is sourced from PubChem (CID 168922857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).