5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine

C9H8Br2ClN3 — CID 164656350

IUPAC5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine
SMILESClc1ncnc(N2CCC=C(Br)C2)c1Br
InChIInChI=1S/C9H8Br2ClN3/c10-6-2-1-3-15(4-6)9-7(11)8(12)13-5-14-9/h2,5H,1,3-4H2
InChIKeyYLXUWUNOGDHKLZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine

5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine (PubChem CID 164656350) has the molecular formula C9H8Br2ClN3 and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine
PubChem CID164656350
Molecular FormulaC9H8Br2ClN3
Molecular Weight353.45 g/mol
Exact Mass350.88
IUPAC Name5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine
SMILESClc1ncnc(N2CCC=C(Br)C2)c1Br
InChIInChI=1S/C9H8Br2ClN3/c10-6-2-1-3-15(4-6)9-7(11)8(12)13-5-14-9/h2,5H,1,3-4H2
InChIKeyYLXUWUNOGDHKLZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 108356664
5-bromo-6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 108356667
5-bromo-6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 108356991
5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
CID 136537395
5-Bromo-4-chloro-6-(pyrrolidin-1-yl)pyrimidine
CID 91758970
5-bromo-6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrimidin-4-amine
CID 106193795
5-bromo-6-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 106195428
5-bromo-N-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-amine
CID 106195566
5-bromo-N-but-3-en-2-yl-6-chloropyrimidin-4-amine
CID 106195709
5-bromo-6-chloro-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195863
5-bromo-6-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 106196085
5-bromo-N-but-3-enyl-6-chloropyrimidin-4-amine
CID 106196157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine?
The IUPAC name of 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine (CID 164656350) is 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine.
What is the SMILES notation for 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine?
The canonical SMILES for 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine is Clc1ncnc(N2CCC=C(Br)C2)c1Br.
What is the InChIKey of 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine?
The InChIKey is YLXUWUNOGDHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2ClN3/c10-6-2-1-3-15(4-6)9-7(11)8(12)13-5-14-9/h2,5H,1,3-4H2.
What are the key properties of 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine?
5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine has a molecular weight of 353.45 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)-6-chloropyrimidine is sourced from PubChem (CID 164656350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).