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

C10H9BrN2 — CID 168922858

IUPAC2-(3-bromophenyl)-1,2-dihydropyrimidine
SMILESBrc1cccc(C2N=CC=CN2)c1
InChIInChI=1S/C10H9BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7,10,12H
InChIKeyJNMQUADBOWOTPN-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.64
Rot. Bonds1

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

2-(3-bromophenyl)-1,2-dihydropyrimidine (PubChem CID 168922858) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,2-dihydropyrimidine
PubChem CID168922858
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name2-(3-bromophenyl)-1,2-dihydropyrimidine
SMILESBrc1cccc(C2N=CC=CN2)c1
InChIInChI=1S/C10H9BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7,10,12H
InChIKeyJNMQUADBOWOTPN-UHFFFAOYSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.64
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?
The IUPAC name of 2-(3-bromophenyl)-1,2-dihydropyrimidine (CID 168922858) is 2-(3-bromophenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-1,2-dihydropyrimidine is Brc1cccc(C2N=CC=CN2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1,2-dihydropyrimidine?
The InChIKey is JNMQUADBOWOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7,10,12H.
What are the key properties of 2-(3-bromophenyl)-1,2-dihydropyrimidine?
2-(3-bromophenyl)-1,2-dihydropyrimidine has a molecular weight of 237.10 g/mol, XLogP of 2.64, 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 is sourced from PubChem (CID 168922858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).