6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

C13H14BrN3S — CID 80962300

IUPAC6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3S/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWTLFTDHVEQEALB-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.10
Rot. Bonds3

About 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80962300) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80962300
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3S/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyWTLFTDHVEQEALB-UHFFFAOYSA-N
XLogP4.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962911
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 80890422
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
[2-propan-2-yl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80973046
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
5-(4-bromophenyl)sulfanylpyridin-2-amine
CID 43345331

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (CID 80962300) is 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(Sc2ccc(Br)cc2)n1.
What is the InChIKey of 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WTLFTDHVEQEALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80962300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).