5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine

C11H16BrClN2S — CID 66291926

IUPAC5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
SMILESCCCc1nc(CSC(C)C)nc(Cl)c1Br
InChIInChI=1S/C11H16BrClN2S/c1-4-5-8-10(12)11(13)15-9(14-8)6-16-7(2)3/h7H,4-6H2,1-3H3
InChIKeyOKJZTYGIVAMPNO-UHFFFAOYSA-N
MW323.69 g/mol
LogP4.49
Rot. Bonds5

About 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine

5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine (PubChem CID 66291926) has the molecular formula C11H16BrClN2S and a molecular weight of 323.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
PubChem CID66291926
Molecular FormulaC11H16BrClN2S
Molecular Weight323.69 g/mol
Exact Mass321.99
IUPAC Name5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
SMILESCCCc1nc(CSC(C)C)nc(Cl)c1Br
InChIInChI=1S/C11H16BrClN2S/c1-4-5-8-10(12)11(13)15-9(14-8)6-16-7(2)3/h7H,4-6H2,1-3H3
InChIKeyOKJZTYGIVAMPNO-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
5-bromo-2-(butan-2-ylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 66293395
5-bromo-4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidine
CID 66293358
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305990
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966
5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146715
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-ethylpyrimidine
CID 66294627
5-bromo-4-chloro-6-methyl-2-propylpyrimidine
CID 66293537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine (CID 66291926) is 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine is CCCc1nc(CSC(C)C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine?
The InChIKey is OKJZTYGIVAMPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2S/c1-4-5-8-10(12)11(13)15-9(14-8)6-16-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine has a molecular weight of 323.69 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine is sourced from PubChem (CID 66291926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).