2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine

C11H7BrCl2N2 — CID 63613484

IUPAC2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C11H7BrCl2N2/c1-6-9(13)15-11(16-10(6)14)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyPOVISKCGFWVPGI-UHFFFAOYSA-N
MW318.00 g/mol
LogP4.52
Rot. Bonds1

About 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine

2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine (PubChem CID 63613484) has the molecular formula C11H7BrCl2N2 and a molecular weight of 318.00 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
PubChem CID63613484
Molecular FormulaC11H7BrCl2N2
Molecular Weight318.00 g/mol
Exact Mass315.92
IUPAC Name2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C11H7BrCl2N2/c1-6-9(13)15-11(16-10(6)14)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyPOVISKCGFWVPGI-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.00
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
4,6-dichloro-5-methyl-2-pyridin-4-ylpyrimidine
CID 63612812
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
4,6-dichloro-5-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 63612998
2-(4-bromophenyl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405639
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
CID 66293475
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 55217795
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
CID 102228159

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine (CID 63613484) is 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine is Cc1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine?
The InChIKey is POVISKCGFWVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2/c1-6-9(13)15-11(16-10(6)14)7-2-4-8(12)5-3-7/h2-5H,1H3.
What are the key properties of 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine?
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine has a molecular weight of 318.00 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine is sourced from PubChem (CID 63613484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).