5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine

C11H12BrN3OS — CID 114073949

IUPAC5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccoc2C)c1Br
InChIInChI=1S/C11H12BrN3OS/c1-3-13-10-9(12)11(15-6-14-10)17-8-4-5-16-7(8)2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyIMSBEKACDXHWBO-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine

5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine (PubChem CID 114073949) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
PubChem CID114073949
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccoc2C)c1Br
InChIInChI=1S/C11H12BrN3OS/c1-3-13-10-9(12)11(15-6-14-10)17-8-4-5-16-7(8)2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyIMSBEKACDXHWBO-UHFFFAOYSA-N
XLogP3.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 114073937
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine
CID 107779481
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
CID 107781342
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine (CID 114073949) is 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine is CCNc1ncnc(Sc2ccoc2C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The InChIKey is IMSBEKACDXHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-3-13-10-9(12)11(15-6-14-10)17-8-4-5-16-7(8)2/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine has a molecular weight of 314.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 114073949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).