2-bromo-4-chloro-6-cyclopropylpyrimidine

C7H6BrClN2 — CID 130067681

IUPAC2-bromo-4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)nc(Br)n1
InChIInChI=1S/C7H6BrClN2/c8-7-10-5(4-1-2-4)3-6(9)11-7/h3-4H,1-2H2
InChIKeyLXNXDTVWXHQBRI-UHFFFAOYSA-N
MW233.50 g/mol
LogP2.77
Rot. Bonds1

About 2-bromo-4-chloro-6-cyclopropylpyrimidine

2-bromo-4-chloro-6-cyclopropylpyrimidine (PubChem CID 130067681) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-chloro-6-cyclopropylpyrimidine
PubChem CID130067681
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name2-bromo-4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)nc(Br)n1
InChIInChI=1S/C7H6BrClN2/c8-7-10-5(4-1-2-4)3-6(9)11-7/h3-4H,1-2H2
InChIKeyLXNXDTVWXHQBRI-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
4-bromo-2-chloro-6-cyclopropylpyrimidine
CID 130056238
2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
CID 55203028
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
CID 63352862
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine
CID 80621568
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
CID 112554769
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
CID 63355441
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 2-bromo-4-chloro-6-cyclopropylpyrimidine (CID 130067681) is 2-bromo-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2-bromo-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2-bromo-4-chloro-6-cyclopropylpyrimidine is Clc1cc(C2CC2)nc(Br)n1.
What is the InChIKey of 2-bromo-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is LXNXDTVWXHQBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-7-10-5(4-1-2-4)3-6(9)11-7/h3-4H,1-2H2.
What are the key properties of 2-bromo-4-chloro-6-cyclopropylpyrimidine?
2-bromo-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 233.50 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 130067681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).