5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine

C10H7BrCl2N4 — CID 66312994

IUPAC5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1nc(-c2cncn2C2CC2)nc(Cl)c1Br
InChIInChI=1S/C10H7BrCl2N4/c11-7-8(12)15-10(16-9(7)13)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2
InChIKeyIWIGFFXNBWUVGZ-UHFFFAOYSA-N
MW334.00 g/mol
LogP3.74
Rot. Bonds2

About 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine

5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine (PubChem CID 66312994) has the molecular formula C10H7BrCl2N4 and a molecular weight of 334.00 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine
PubChem CID66312994
Molecular FormulaC10H7BrCl2N4
Molecular Weight334.00 g/mol
Exact Mass331.92
IUPAC Name5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1nc(-c2cncn2C2CC2)nc(Cl)c1Br
InChIInChI=1S/C10H7BrCl2N4/c11-7-8(12)15-10(16-9(7)13)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2
InChIKeyIWIGFFXNBWUVGZ-UHFFFAOYSA-N
XLogP3.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine
CID 66311681
4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
CID 115926483
4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
CID 66163099
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295944
5-bromo-2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66295755
5-chloro-1-cyclopropylimidazole
CID 169168171
2-(3-cyclopropylimidazol-4-yl)-6-ethylpyrimidin-4-amine
CID 66161729
2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66163528
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66163526
2-(3-cyclopropylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 66163514
[2-(3-cyclopropylimidazol-4-yl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 66164316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine (CID 66312994) is 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine is Clc1nc(-c2cncn2C2CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The InChIKey is IWIGFFXNBWUVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N4/c11-7-8(12)15-10(16-9(7)13)6-3-14-4-17(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine has a molecular weight of 334.00 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66312994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).