2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine

C11H12BrN3S — CID 115381177

IUPAC2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2sccc2Br)nc(N)c1C
InChIInChI=1S/C11H12BrN3S/c1-3-8-6(2)10(13)15-11(14-8)9-7(12)4-5-16-9/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeyQGMDMNSONNXNMJ-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.42
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine

2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 115381177) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID115381177
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2sccc2Br)nc(N)c1C
InChIInChI=1S/C11H12BrN3S/c1-3-8-6(2)10(13)15-11(14-8)9-7(12)4-5-16-9/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeyQGMDMNSONNXNMJ-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 115381240
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
6-ethyl-5-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 63560551
5,6-dimethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62203881
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 66426085
6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80977064
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115381279
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
CID 106849539
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine (CID 115381177) is 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(-c2sccc2Br)nc(N)c1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is QGMDMNSONNXNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-3-8-6(2)10(13)15-11(14-8)9-7(12)4-5-16-9/h4-5H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine?
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 298.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115381177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).