5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine

C11H18BrN3S — CID 142925662

IUPAC5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(C)c1nc(SC)ncc1Br
InChIInChI=1S/C11H18BrN3S/c1-5-8(6-2)15(3)10-9(12)7-13-11(14-10)16-4/h7-8H,5-6H2,1-4H3
InChIKeyHJJMZDIBNUFMGS-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.59
Rot. Bonds5

About 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine

5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 142925662) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
PubChem CID142925662
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(C)c1nc(SC)ncc1Br
InChIInChI=1S/C11H18BrN3S/c1-5-8(6-2)15(3)10-9(12)7-13-11(14-10)16-4/h7-8H,5-6H2,1-4H3
InChIKeyHJJMZDIBNUFMGS-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 112551364
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 112663144
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)ethanamine
CID 130153690
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
N,N,5-trimethyl-2-methylsulfanylpyrimidin-4-amine
CID 134834110
5-fluoro-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80793731
butan-2-yl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
CID 123187615
(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
CID 71229136
5-bromo-N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 154583251
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine
CID 153418678
5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 79491057

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine (CID 142925662) is 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(C)c1nc(SC)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is HJJMZDIBNUFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-5-8(6-2)15(3)10-9(12)7-13-11(14-10)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 304.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 142925662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).