5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine

C12H7Br3ClN3 — CID 113393875

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine
SMILESClc1nc(-c2ncc(Br)cc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C12H7Br3ClN3/c13-6-3-7(14)10(17-4-6)12-18-9(5-1-2-5)8(15)11(16)19-12/h3-5H,1-2H2
InChIKeyDIHHFCOLASCMKV-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.36
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine (PubChem CID 113393875) has the molecular formula C12H7Br3ClN3 and a molecular weight of 468.37 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine
PubChem CID113393875
Molecular FormulaC12H7Br3ClN3
Molecular Weight468.37 g/mol
Exact Mass464.79
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine
SMILESClc1nc(-c2ncc(Br)cc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C12H7Br3ClN3/c13-6-3-7(14)10(17-4-6)12-18-9(5-1-2-5)8(15)11(16)19-12/h3-5H,1-2H2
InChIKeyDIHHFCOLASCMKV-UHFFFAOYSA-N
XLogP5.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine (CID 113393875) is 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine is Clc1nc(-c2ncc(Br)cc2Br)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine?
The InChIKey is DIHHFCOLASCMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3ClN3/c13-6-3-7(14)10(17-4-6)12-18-9(5-1-2-5)8(15)11(16)19-12/h3-5H,1-2H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine has a molecular weight of 468.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)pyrimidine is sourced from PubChem (CID 113393875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).