5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine

C9H10BrClN2 — CID 107925433

IUPAC5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H10BrClN2/c1-9(2)3-5(9)8-12-4-6(10)7(11)13-8/h4-5H,3H2,1-2H3
InChIKeyNVVAEUJKYPOOOR-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.41
Rot. Bonds1

About 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine

5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine (PubChem CID 107925433) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine
PubChem CID107925433
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C9H10BrClN2/c1-9(2)3-5(9)8-12-4-6(10)7(11)13-8/h4-5H,3H2,1-2H3
InChIKeyNVVAEUJKYPOOOR-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine (CID 107925433) is 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine is CC1(C)CC1c1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
The InChIKey is NVVAEUJKYPOOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-9(2)3-5(9)8-12-4-6(10)7(11)13-8/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine?
5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine has a molecular weight of 261.55 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine is sourced from PubChem (CID 107925433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).