5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine

C9H11BrCl2N2S — CID 66317448

IUPAC5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
SMILESCC(C)CSCc1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C9H11BrCl2N2S/c1-5(2)3-15-4-6-13-8(11)7(10)9(12)14-6/h5H,3-4H2,1-2H3
InChIKeyQYXQAKGLEQIODR-UHFFFAOYSA-N
MW330.08 g/mol
LogP4.44
Rot. Bonds4

About 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine

5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine (PubChem CID 66317448) has the molecular formula C9H11BrCl2N2S and a molecular weight of 330.08 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
PubChem CID66317448
Molecular FormulaC9H11BrCl2N2S
Molecular Weight330.08 g/mol
Exact Mass327.92
IUPAC Name5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
SMILESCC(C)CSCc1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C9H11BrCl2N2S/c1-5(2)3-15-4-6-13-8(11)7(10)9(12)14-6/h5H,3-4H2,1-2H3
InChIKeyQYXQAKGLEQIODR-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 79431673
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
4,6-dichloro-5-(3-methylphenyl)-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 79422283
5-(chloromethyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 65137998
5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
6-ethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65137126
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
CID 66291926
5-bromo-2-(butan-2-ylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 66293395
4-chloro-2-(2-methylpropylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 63537714
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219947
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine (CID 66317448) is 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine is CC(C)CSCc1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
The InChIKey is QYXQAKGLEQIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrCl2N2S/c1-5(2)3-15-4-6-13-8(11)7(10)9(12)14-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine?
5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine has a molecular weight of 330.08 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 66317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).