4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine

C12H19BrN2S — CID 107751326

IUPAC4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(SCCC(C)C)n1
InChIInChI=1S/C12H19BrN2S/c1-4-5-11-14-10(13)8-12(15-11)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCVNCZRHAVGADGY-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.33
Rot. Bonds6

About 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine

4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine (PubChem CID 107751326) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine
PubChem CID107751326
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(SCCC(C)C)n1
InChIInChI=1S/C12H19BrN2S/c1-4-5-11-14-10(13)8-12(15-11)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCVNCZRHAVGADGY-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765976
methyl 2-[1-[(6-bromo-2-propylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777569
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
6-pentylsulfanyl-2-propylpyrimidin-4-amine
CID 107765305
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine?
The IUPAC name of 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine (CID 107751326) is 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine.
What is the SMILES notation for 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine?
The canonical SMILES for 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine is CCCc1nc(Br)cc(SCCC(C)C)n1.
What is the InChIKey of 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine?
The InChIKey is CVNCZRHAVGADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-4-5-11-14-10(13)8-12(15-11)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine?
4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine has a molecular weight of 303.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine is sourced from PubChem (CID 107751326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).