5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine

C10H12BrClN2 — CID 66292583

IUPAC5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
SMILESCCc1nc(C2CCC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2/c1-2-7-8(11)9(12)14-10(13-7)6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyNLNONTBGQHDLRR-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.72
Rot. Bonds2

About 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine

5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine (PubChem CID 66292583) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
PubChem CID66292583
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
SMILESCCc1nc(C2CCC2)nc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2/c1-2-7-8(11)9(12)14-10(13-7)6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyNLNONTBGQHDLRR-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336186
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
5-bromo-4-chloro-6-ethyl-2-(5-methyloxolan-2-yl)pyrimidine
CID 82836731
4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
CID 64981738
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-4-chloro-2-(1,4-dithian-2-yl)-6-ethylpyrimidine
CID 79972998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine (CID 66292583) is 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine is CCc1nc(C2CCC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine?
The InChIKey is NLNONTBGQHDLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-2-7-8(11)9(12)14-10(13-7)6-4-3-5-6/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine?
5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine has a molecular weight of 275.58 g/mol, XLogP of 3.72, 2 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-cyclobutyl-6-ethylpyrimidine is sourced from PubChem (CID 66292583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).